1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol

C14H15ClOS — CID 115828463

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)c1sccc1Cl
InChIInChI=1S/C14H15ClOS/c1-9-4-3-5-10(2)11(9)8-13(16)14-12(15)6-7-17-14/h3-7,13,16H,8H2,1-2H3
InChIKeyFNQSNTWNXWBXEA-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol

1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol (PubChem CID 115828463) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
PubChem CID115828463
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)c1sccc1Cl
InChIInChI=1S/C14H15ClOS/c1-9-4-3-5-10(2)11(9)8-13(16)14-12(15)6-7-17-14/h3-7,13,16H,8H2,1-2H3
InChIKeyFNQSNTWNXWBXEA-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)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-(2,6-difluorophenyl)ethanol
CID 80529585
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 80530275
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanol
CID 115830332
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol (CID 115828463) is 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol is Cc1cccc(C)c1CC(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol?
The InChIKey is FNQSNTWNXWBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-9-4-3-5-10(2)11(9)8-13(16)14-12(15)6-7-17-14/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol has a molecular weight of 266.79 g/mol, XLogP of 4.29, 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-(2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 115828463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).