[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

C22H16O3S — CID 18318529

IUPAC[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3ccccc23)cc1
InChIInChI=1S/C22H16O3S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3
InChIKeyZHPXXBZHORWYTG-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.51
Rot. Bonds4

About [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 18318529) has the molecular formula C22H16O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
PubChem CID18318529
Molecular FormulaC22H16O3S
Molecular Weight360.43 g/mol
Exact Mass360.08
IUPAC Name[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3ccccc23)cc1
InChIInChI=1S/C22H16O3S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3
InChIKeyZHPXXBZHORWYTG-UHFFFAOYSA-N
XLogP5.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 22753336
(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640
[4-[3-(4-hydroxybenzoyl)-1-benzothiophen-2-yl]phenyl] propanoate
CID 22753270
[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(1-methylazepan-1-ium-1-carbonyl)phenyl]methanone
CID 163715409
(4-ethoxyphenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
CID 70532518
(4-methoxyphenyl)-[2-(2-nitrophenyl)-1-benzothiophen-3-yl]methanone
CID 46228262
2-[2-[2-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[4-[6-hydroxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[4-[2-(4-hydroxyphenyl)-6-methoxy-1-benzothiophene-3-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 159376514
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
[4-[6-ethoxy-3-(4-methoxybenzoyl)-1-benzothiophen-2-yl]phenyl] acetate
CID 22753274
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-nonoxyphenyl)methanone
CID 149090198
2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-N,N-dimethylacetamide
CID 15338685

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone (CID 18318529) is [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3ccccc23)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ZHPXXBZHORWYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13,23H,1H3.
What are the key properties of [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 360.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 18318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).