(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone

C16H11ClO2S — CID 139391922

IUPAC(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1sc2cc(O)ccc2c1Cl
InChIInChI=1S/C16H11ClO2S/c1-9-4-2-3-5-11(9)15(19)16-14(17)12-7-6-10(18)8-13(12)20-16/h2-8,18H,1H3
InChIKeyAKJVLOPPEILOGT-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.80
Rot. Bonds2

About (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone

(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone (PubChem CID 139391922) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
PubChem CID139391922
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1sc2cc(O)ccc2c1Cl
InChIInChI=1S/C16H11ClO2S/c1-9-4-2-3-5-11(9)15(19)16-14(17)12-7-6-10(18)8-13(12)20-16/h2-8,18H,1H3
InChIKeyAKJVLOPPEILOGT-UHFFFAOYSA-N
XLogP4.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dimethyl-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
CID 163711361
(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
[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone;[3-[4-[2-(ethylamino)ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 158334373
[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone
CID 67599570
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
(2,6-dimethylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 3284691
1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
CID 131145979
[3-[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
CID 139392056
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-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone (CID 139391922) is (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Cl.
What is the InChIKey of (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
The InChIKey is AKJVLOPPEILOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c1-9-4-2-3-5-11(9)15(19)16-14(17)12-7-6-10(18)8-13(12)20-16/h2-8,18H,1H3.
What are the key properties of (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone?
(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone has a molecular weight of 302.78 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 139391922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).