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

C23H18O3S — CID 10667130

IUPAC(4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3ccccc23)cc1
InChIInChI=1S/C23H18O3S/c1-25-17-11-7-15(8-12-17)22(24)21-19-5-3-4-6-20(19)27-23(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3
InChIKeyGKLNUSVOHXBWML-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.82
Rot. Bonds5

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

(4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone (PubChem CID 10667130) has the molecular formula C23H18O3S and a molecular weight of 374.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
PubChem CID10667130
Molecular FormulaC23H18O3S
Molecular Weight374.46 g/mol
Exact Mass374.10
IUPAC Name(4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3ccccc23)cc1
InChIInChI=1S/C23H18O3S/c1-25-17-11-7-15(8-12-17)22(24)21-19-5-3-4-6-20(19)27-23(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3
InChIKeyGKLNUSVOHXBWML-UHFFFAOYSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(1-benzothiophen-5-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732204
(E)-3-(1-benzothiophen-3-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732205
4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
CID 100774
2-(4-Hydroxyphenyl)-3-(4-Hydroxybenzoyl)-6-Hydroxybenzo[b]thiophene
CID 9863785
[3-(4-Fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]-(4-hydroxyphenyl)methanone
CID 127038229
(6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 9804485
(2-Phenyl-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 9911175
[2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-methylphenyl]methanone
CID 17760561
(E)-2-(4-fluorophenyl)sulfanyl-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 24957424
2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)-2-thienyl]ethanone
CID 44543407
8-Benzoyl-4-methyl-9-phenylthieno[2,3-h]chromen-2-one
CID 44554222
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone (CID 10667130) is (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone is COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone?
The InChIKey is GKLNUSVOHXBWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3S/c1-25-17-11-7-15(8-12-17)22(24)21-19-5-3-4-6-20(19)27-23(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone?
(4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone has a molecular weight of 374.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone is sourced from PubChem (CID 10667130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).