1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol

C13H12ClFOS — CID 115838295

IUPAC1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1sccc1Cl
InChIInChI=1S/C13H12ClFOS/c1-8-6-10(15)3-2-9(8)7-12(16)13-11(14)4-5-17-13/h2-6,12,16H,7H2,1H3
InChIKeyBYXUPNMKYUETSV-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.13
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol

1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 115838295) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID115838295
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1sccc1Cl
InChIInChI=1S/C13H12ClFOS/c1-8-6-10(15)3-2-9(8)7-12(16)13-11(14)4-5-17-13/h2-6,12,16H,7H2,1H3
InChIKeyBYXUPNMKYUETSV-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)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-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol (CID 115838295) is 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1CC(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is BYXUPNMKYUETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-8-6-10(15)3-2-9(8)7-12(16)13-11(14)4-5-17-13/h2-6,12,16H,7H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 270.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 115838295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).