4-(furan-2-yl)butan-2-ol

C8H12O2 — CID 23400

IUPAC4-(furan-2-yl)butan-2-ol
SMILESCC(O)CCc1ccco1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyWJKRHTCMSSXHNV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.59
Rot. Bonds3

About 4-(furan-2-yl)butan-2-ol

4-(furan-2-yl)butan-2-ol (PubChem CID 23400) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(furan-2-yl)butan-2-ol
PubChem CID23400
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-(furan-2-yl)butan-2-ol
SMILESCC(O)CCc1ccco1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyWJKRHTCMSSXHNV-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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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)butan-2-ol?
The IUPAC name of 4-(furan-2-yl)butan-2-ol (CID 23400) is 4-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 4-(furan-2-yl)butan-2-ol?
The canonical SMILES for 4-(furan-2-yl)butan-2-ol is CC(O)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)butan-2-ol?
The InChIKey is WJKRHTCMSSXHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 4-(furan-2-yl)butan-2-ol?
4-(furan-2-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 4-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 23400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).