1-(furan-3-yl)butan-2-ol

C8H12O2 — CID 83171486

IUPAC1-(furan-3-yl)butan-2-ol
SMILESCCC(O)Cc1ccoc1
InChIInChI=1S/C8H12O2/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8-9H,2,5H2,1H3
InChIKeyGOXNMFJEBYUJIR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.59
Rot. Bonds3

About 1-(furan-3-yl)butan-2-ol

1-(furan-3-yl)butan-2-ol (PubChem CID 83171486) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(furan-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)butan-2-ol
PubChem CID83171486
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(furan-3-yl)butan-2-ol
SMILESCCC(O)Cc1ccoc1
InChIInChI=1S/C8H12O2/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8-9H,2,5H2,1H3
InChIKeyGOXNMFJEBYUJIR-UHFFFAOYSA-N
XLogP1.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
CID 83174968
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
5-ethoxy-1-(furan-3-yl)pentan-2-ol
CID 105123168
1,2-bis(furan-3-yl)ethanol
CID 83172033
2-(furan-3-ylmethyl)pentanoic acid
CID 12573303
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
3-ethylfuran;methanol
CID 174626479
1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147367
3-(diethylamino)-3-ethyl-1-(furan-3-yl)pentan-2-ol
CID 83175769
2-(furan-3-ylmethyl)-3-hydroxy-4,4-dimethylpentanoic acid
CID 66735630

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)butan-2-ol?
The IUPAC name of 1-(furan-3-yl)butan-2-ol (CID 83171486) is 1-(furan-3-yl)butan-2-ol.
What is the SMILES notation for 1-(furan-3-yl)butan-2-ol?
The canonical SMILES for 1-(furan-3-yl)butan-2-ol is CCC(O)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)butan-2-ol?
The InChIKey is GOXNMFJEBYUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(9)5-7-3-4-10-6-7/h3-4,6,8-9H,2,5H2,1H3.
What are the key properties of 1-(furan-3-yl)butan-2-ol?
1-(furan-3-yl)butan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)butan-2-ol is sourced from PubChem (CID 83171486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).