2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one

C24H18Cl2O6S — CID 2740106

IUPAC2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cc(OCC(O)CS(=O)(=O)c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C24H18Cl2O6S/c25-16-3-1-15(2-4-16)23-12-22(28)21-10-7-19(11-24(21)32-23)31-13-18(27)14-33(29,30)20-8-5-17(26)6-9-20/h1-12,18,27H,13-14H2
InChIKeyFQVYSIQUXCPVIJ-UHFFFAOYSA-N
MW505.38 g/mol
LogP4.98
Rot. Bonds7

About 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one

2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one (PubChem CID 2740106) has the molecular formula C24H18Cl2O6S and a molecular weight of 505.38 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one
PubChem CID2740106
Molecular FormulaC24H18Cl2O6S
Molecular Weight505.38 g/mol
Exact Mass504.02
IUPAC Name2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)oc2cc(OCC(O)CS(=O)(=O)c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C24H18Cl2O6S/c25-16-3-1-15(2-4-16)23-12-22(28)21-10-7-19(11-24(21)32-23)31-13-18(27)14-33(29,30)20-8-5-17(26)6-9-20/h1-12,18,27H,13-14H2
InChIKeyFQVYSIQUXCPVIJ-UHFFFAOYSA-N
XLogP4.98
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
7-(3-bromopropoxy)-2-(4-chlorophenyl)chromen-4-one
CID 53324174
7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one
CID 73352574
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
CID 14626307
[1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate
CID 14373562
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
CID 73352575
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one (CID 2740106) is 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one is O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCC(O)CS(=O)(=O)c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one?
The InChIKey is FQVYSIQUXCPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O6S/c25-16-3-1-15(2-4-16)23-12-22(28)21-10-7-19(11-24(21)32-23)31-13-18(27)14-33(29,30)20-8-5-17(26)6-9-20/h1-12,18,27H,13-14H2.
What are the key properties of 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one?
2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one has a molecular weight of 505.38 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one is sourced from PubChem (CID 2740106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).