1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol

C13H13FO2 — CID 115830188

IUPAC1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
SMILESCc1cccc(C(O)Cc2ccco2)c1F
InChIInChI=1S/C13H13FO2/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3
InChIKeyVSQIHSSEQPLQDE-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol

1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol (PubChem CID 115830188) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
PubChem CID115830188
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
SMILESCc1cccc(C(O)Cc2ccco2)c1F
InChIInChI=1S/C13H13FO2/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3
InChIKeyVSQIHSSEQPLQDE-UHFFFAOYSA-N
XLogP3.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
1-(2,5-dimethylphenyl)-2-(furan-2-yl)ethanol
CID 83172156
2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 83175177
2-(furan-2-yl)-1-(4-methyl-3-pyridinyl)ethanol
CID 83171669
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
2-(furan-2-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 130581429
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol
CID 83176081
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol (CID 115830188) is 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol is Cc1cccc(C(O)Cc2ccco2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol?
The InChIKey is VSQIHSSEQPLQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol?
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol has a molecular weight of 220.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 115830188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).