FURFURYL ALCOHOL
C₅H₆O₂·98.100 g/mol·CID 7361
IUPAC: furan-2-ylmethanol
Also known as: 98-00-0, 2-Furanmethanol, 2-Furylmethanol, furan-2-ylmethanol, 2-Furancarbinol (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
98.100g/mol
Exact Mass
98.036779Da
Monoisotopic Mass
98.036779Da
XLogP
0.3
Polar Surface Area
33.4Ų
Complexity
54
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 98.1 g/mol
MW ≤ 500
✓ 0.3
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH312Harmful in contact with skinH319Causes serious eye irritationH331Toxic if inhaledH335May cause respiratory irritationH351Suspected of causing cancerH301Toxic if swallowedH311Toxic in contact with skinH315Causes skin irritationH330Fatal if inhaled
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆O₂
2-methyl-2H-furan-5-one
CID 11558 · 98.1 g/mol
5-methyl-3H-furan-2-one
CID 11559 · 98.1 g/mol
3-methylideneoxolan-2-one
CID 68352 · 98.1 g/mol
cyclopentane-1,3-dione
CID 77466 · 98.1 g/mol
pent-4-ynoic acid
CID 22464 · 98.1 g/mol
5-methylfuran-3-one
CID 12711594 · 98.1 g/mol
prop-2-ynyl acetate
CID 69388 · 98.1 g/mol
ethenyl prop-2-enoate
CID 75118 · 98.1 g/mol