(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone

C18H16OS — CID 163711361

IUPAC(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C18H16OS/c1-11-8-9-15-13(3)18(20-16(15)10-11)17(19)14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyKJMSMMAGZUUBTE-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.06
Rot. Bonds2

About (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone

(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone (PubChem CID 163711361) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
PubChem CID163711361
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C18H16OS/c1-11-8-9-15-13(3)18(20-16(15)10-11)17(19)14-7-5-4-6-12(14)2/h4-10H,1-3H3
InChIKeyKJMSMMAGZUUBTE-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
CID 139391922
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
6-[[6-methoxy-2-(2-methylbenzoyl)-1-benzothiophen-3-yl]oxy]naphthalene-2-carbaldehyde
CID 129228140
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
3,5-dimethyl-1-benzothiophene-2-carboxylic acid;ethane
CID 142205724
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone;4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenol;[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-methyl-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
CID 163460084
bis([(E)-2-[4-[[6-hydroxy-2-(2-methylbenzoyl)-1-benzothiophen-3-yl]oxy]phenyl]ethenyl] formate);[(E)-2-[4-[[6-hydroxy-2-(3-methylbenzoyl)-1-benzothiophen-3-yl]oxy]phenyl]ethenyl] formate;[(E)-2-[4-[[6-hydroxy-2-(4-methylbenzoyl)-1-benzothiophen-3-yl]oxy]phenyl]ethenyl] formate
CID 160644892
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
iron;2-methylbenzoic acid
CID 174483135

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone (CID 163711361) is (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone is Cc1ccc2c(C)c(C(=O)c3ccccc3C)sc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The InChIKey is KJMSMMAGZUUBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-11-8-9-15-13(3)18(20-16(15)10-11)17(19)14-7-5-4-6-12(14)2/h4-10H,1-3H3.
What are the key properties of (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone has a molecular weight of 280.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 163711361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).