[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone

C23H18O3S — CID 67599570

IUPAC[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccccc2C)cc1
InChIInChI=1S/C23H18O3S/c1-14-5-3-4-6-18(14)21-19-12-9-16(24)13-20(19)27-23(21)22(25)15-7-10-17(26-2)11-8-15/h3-13,24H,1-2H3
InChIKeyNARTZDRPPGCWIB-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.82
Rot. Bonds4

About [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone

[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 67599570) has the molecular formula C23H18O3S and a molecular weight of 374.46 g/mol. Its IUPAC name is [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone
PubChem CID67599570
Molecular FormulaC23H18O3S
Molecular Weight374.46 g/mol
Exact Mass374.10
IUPAC Name[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccccc2C)cc1
InChIInChI=1S/C23H18O3S/c1-14-5-3-4-6-18(14)21-19-12-9-16(24)13-20(19)27-23(21)22(25)15-7-10-17(26-2)11-8-15/h3-13,24H,1-2H3
InChIKeyNARTZDRPPGCWIB-UHFFFAOYSA-N
XLogP5.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-hydroxy-3-[4-[2-(methylamino)ethoxy]phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 140896393
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 18318529
[6-hydroxy-3-[4-(2-hydroxyfuran-3-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 139404089
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970
(3-chloro-6-hydroxy-1-benzothiophen-2-yl)-(2-methylphenyl)methanone
CID 139391922
[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-(2-methylphenyl)methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-(4-methylphenyl)methanone;[6-hydroxy-3-[4-[2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 158662486
4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,2-oxazol-3-one
CID 139404181
4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 139404194
[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 139403880
5-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]thiophene-2-carboxylic acid
CID 139404172
[3-(4-ethenoxyphenyl)-6-hydroxy-1-benzothiophen-2-yl]-(3-fluoro-5-methylphenyl)methanone
CID 159332548
2-[4-[6-hydroxy-2-(4-methylbenzoyl)-1-benzothiophen-3-yl]phenyl]cyclopropane-1-carboxylic acid
CID 157316029

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone (CID 67599570) is [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccccc2C)cc1.
What is the InChIKey of [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NARTZDRPPGCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3S/c1-14-5-3-4-6-18(14)21-19-12-9-16(24)13-20(19)27-23(21)22(25)15-7-10-17(26-2)11-8-15/h3-13,24H,1-2H3.
What are the key properties of [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone?
[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 374.46 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 67599570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).