DTXSID20859693
C₂₁H₃₀O₂·314.500 g/mol·CID 2978
IUPAC: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Also known as: 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo(c)chromen-1-ol, RefChem:1073561, DTXCID10209108, 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
314.500g/mol
Exact Mass
314.224580Da
Monoisotopic Mass
314.224580Da
XLogP
7.0
Polar Surface Area
29.5Ų
Complexity
439
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
23
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 314.5 g/mol
MW ≤ 500
✗ 7.0
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
Isomers8 compounds with formula C₂₁H₃₀O₂
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 5994 · 314.5 g/mol
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 644019 · 314.5 g/mol
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 16078 · 314.5 g/mol
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
CID 30219 · 314.5 g/mol
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 638026 · 314.5 g/mol
4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 89949 · 314.5 g/mol
5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
CID 13259919 · 314.5 g/mol
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
CID 72185 · 314.5 g/mol