7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene

C16H13ClS — CID 23543580

IUPAC7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cc3ccccc3Cl)cccc12
InChIInChI=1S/C16H13ClS/c1-11-10-18-16-13(6-4-7-14(11)16)9-12-5-2-3-8-15(12)17/h2-8,10H,9H2,1H3
InChIKeyNLDGYAVQNQULPX-UHFFFAOYSA-N
MW272.80 g/mol
LogP5.45
Rot. Bonds2

About 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene

7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene (PubChem CID 23543580) has the molecular formula C16H13ClS and a molecular weight of 272.80 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
PubChem CID23543580
Molecular FormulaC16H13ClS
Molecular Weight272.80 g/mol
Exact Mass272.04
IUPAC Name7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cc3ccccc3Cl)cccc12
InChIInChI=1S/C16H13ClS/c1-11-10-18-16-13(6-4-7-14(11)16)9-12-5-2-3-8-15(12)17/h2-8,10H,9H2,1H3
InChIKeyNLDGYAVQNQULPX-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.80
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene 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

7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene
CID 23543485
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
7-chloro-6-ethyl-3-methyl-1-benzothiophene
CID 91881894
1-chloro-5-[(5-chloronaphthalen-1-yl)methyl]naphthalene
CID 173152274
7-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzothiophene
CID 117181603
4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine
CID 98771509
5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine
CID 171659985
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335
3-methyl-1-benzothiophene;zinc
CID 70563074

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene?
The IUPAC name of 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene (CID 23543580) is 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene?
The canonical SMILES for 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene is Cc1csc2c(Cc3ccccc3Cl)cccc12.
What is the InChIKey of 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene?
The InChIKey is NLDGYAVQNQULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClS/c1-11-10-18-16-13(6-4-7-14(11)16)9-12-5-2-3-8-15(12)17/h2-8,10H,9H2,1H3.
What are the key properties of 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene?
7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene has a molecular weight of 272.80 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene is sourced from PubChem (CID 23543580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).