(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone

C24H16Cl2O2S — CID 10961144

IUPAC(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)sc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2O2S/c1-28-20-12-6-15(7-13-20)21-14-22(16-2-8-18(25)9-3-16)29-24(21)23(27)17-4-10-19(26)11-5-17/h2-14H,1H3
InChIKeyMPZGAFFYFDPLHG-UHFFFAOYSA-N
MW439.36 g/mol
LogP7.63
Rot. Bonds5

About (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone

(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone (PubChem CID 10961144) has the molecular formula C24H16Cl2O2S and a molecular weight of 439.36 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
PubChem CID10961144
Molecular FormulaC24H16Cl2O2S
Molecular Weight439.36 g/mol
Exact Mass438.02
IUPAC Name(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)sc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2O2S/c1-28-20-12-6-15(7-13-20)21-14-22(16-2-8-18(25)9-3-16)29-24(21)23(27)17-4-10-19(26)11-5-17/h2-14H,1H3
InChIKeyMPZGAFFYFDPLHG-UHFFFAOYSA-N
XLogP7.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone (CID 10961144) is (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone is COc1ccc(-c2cc(-c3ccc(Cl)cc3)sc2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone?
The InChIKey is MPZGAFFYFDPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O2S/c1-28-20-12-6-15(7-13-20)21-14-22(16-2-8-18(25)9-3-16)29-24(21)23(27)17-4-10-19(26)11-5-17/h2-14H,1H3.
What are the key properties of (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone?
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone has a molecular weight of 439.36 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 10961144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).