2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone

C27H24O4S — CID 58318517

IUPAC2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(=O)Cc3ccccc3-c3cccs3)c2)c(OC)c1OC
InChIInChI=1S/C27H24O4S/c1-29-24-14-13-22(26(30-2)27(24)31-3)18-9-6-10-20(16-18)23(28)17-19-8-4-5-11-21(19)25-12-7-15-32-25/h4-16H,17H2,1-3H3
InChIKeyFVUCWTDZGCGYTQ-UHFFFAOYSA-N
MW444.55 g/mol
LogP6.53
Rot. Bonds8

About 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone

2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone (PubChem CID 58318517) has the molecular formula C27H24O4S and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone
PubChem CID58318517
Molecular FormulaC27H24O4S
Molecular Weight444.55 g/mol
Exact Mass444.14
IUPAC Name2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(=O)Cc3ccccc3-c3cccs3)c2)c(OC)c1OC
InChIInChI=1S/C27H24O4S/c1-29-24-14-13-22(26(30-2)27(24)31-3)18-9-6-10-20(16-18)23(28)17-19-8-4-5-11-21(19)25-12-7-15-32-25/h4-16H,17H2,1-3H3
InChIKeyFVUCWTDZGCGYTQ-UHFFFAOYSA-N
XLogP6.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
CID 58615706
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
CID 58615731
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 61033108
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The IUPAC name of 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone (CID 58318517) is 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone is COc1ccc(-c2cccc(C(=O)Cc3ccccc3-c3cccs3)c2)c(OC)c1OC.
What is the InChIKey of 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
The InChIKey is FVUCWTDZGCGYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4S/c1-29-24-14-13-22(26(30-2)27(24)31-3)18-9-6-10-20(16-18)23(28)17-19-8-4-5-11-21(19)25-12-7-15-32-25/h4-16H,17H2,1-3H3.
What are the key properties of 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone?
2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone has a molecular weight of 444.55 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 58318517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).