[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol

C12H12O3 — CID 163843794

IUPAC[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C12H12O3/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,13-14H,7-8H2
InChIKeyOOIMPEFSRQUNDR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.93
Rot. Bonds3

About [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol

[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol (PubChem CID 163843794) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
PubChem CID163843794
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C12H12O3/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,13-14H,7-8H2
InChIKeyOOIMPEFSRQUNDR-UHFFFAOYSA-N
XLogP1.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol (CID 163843794) is [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol is OCc1ccc(-c2ccc(CO)o2)cc1.
What is the InChIKey of [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol?
The InChIKey is OOIMPEFSRQUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-7-9-1-3-10(4-2-9)12-6-5-11(8-14)15-12/h1-6,13-14H,7-8H2.
What are the key properties of [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol?
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol has a molecular weight of 204.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol is sourced from PubChem (CID 163843794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).