[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol

C13H13BrO2 — CID 66709665

IUPAC[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol
SMILESCCc1cc(Br)ccc1-c1ccoc1CO
InChIInChI=1S/C13H13BrO2/c1-2-9-7-10(14)3-4-11(9)12-5-6-16-13(12)8-15/h3-7,15H,2,8H2,1H3
InChIKeyVYTLPIQHTSCZTQ-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.76
Rot. Bonds3

About [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol

[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol (PubChem CID 66709665) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol
PubChem CID66709665
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol
SMILESCCc1cc(Br)ccc1-c1ccoc1CO
InChIInChI=1S/C13H13BrO2/c1-2-9-7-10(14)3-4-11(9)12-5-6-16-13(12)8-15/h3-7,15H,2,8H2,1H3
InChIKeyVYTLPIQHTSCZTQ-UHFFFAOYSA-N
XLogP3.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(4-bromo-2-ethylphenyl)furan-2-yl]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 [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol?
The IUPAC name of [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol (CID 66709665) is [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol.
What is the SMILES notation for [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol?
The canonical SMILES for [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol is CCc1cc(Br)ccc1-c1ccoc1CO.
What is the InChIKey of [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol?
The InChIKey is VYTLPIQHTSCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-2-9-7-10(14)3-4-11(9)12-5-6-16-13(12)8-15/h3-7,15H,2,8H2,1H3.
What are the key properties of [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol?
[3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol has a molecular weight of 281.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-ethylphenyl)furan-2-yl]methanol is sourced from PubChem (CID 66709665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).