[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol

C17H16OS — CID 131986145

IUPAC[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1ccccc1-c1c(C)sc2ccc(CO)cc12
InChIInChI=1S/C17H16OS/c1-11-5-3-4-6-14(11)17-12(2)19-16-8-7-13(10-18)9-15(16)17/h3-9,18H,10H2,1-2H3
InChIKeyAVLVKPCSZOZTSG-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.68
Rot. Bonds2

About [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol

[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol (PubChem CID 131986145) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
PubChem CID131986145
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1ccccc1-c1c(C)sc2ccc(CO)cc12
InChIInChI=1S/C17H16OS/c1-11-5-3-4-6-14(11)17-12(2)19-16-8-7-13(10-18)9-15(16)17/h3-9,18H,10H2,1-2H3
InChIKeyAVLVKPCSZOZTSG-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-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 [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol (CID 131986145) is [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol is Cc1ccccc1-c1c(C)sc2ccc(CO)cc12.
What is the InChIKey of [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is AVLVKPCSZOZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-11-5-3-4-6-14(11)17-12(2)19-16-8-7-13(10-18)9-15(16)17/h3-9,18H,10H2,1-2H3.
What are the key properties of [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol?
[2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol has a molecular weight of 268.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131986145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).