3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one

C28H19ClO3 — CID 46303321

IUPAC3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
SMILESO=c1c(OC(c2ccccc2)c2ccccc2)c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C28H19ClO3/c29-22-17-15-21(16-18-22)27-28(25(30)23-13-7-8-14-24(23)31-27)32-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,26H
InChIKeyKTNLFJKPDKGNFE-UHFFFAOYSA-N
MW438.91 g/mol
LogP7.28
Rot. Bonds5

About 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one

3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one (PubChem CID 46303321) has the molecular formula C28H19ClO3 and a molecular weight of 438.91 g/mol. Its IUPAC name is 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one.

Molecular Properties

Compound Name3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
PubChem CID46303321
Molecular FormulaC28H19ClO3
Molecular Weight438.91 g/mol
Exact Mass438.10
IUPAC Name3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
SMILESO=c1c(OC(c2ccccc2)c2ccccc2)c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C28H19ClO3/c29-22-17-15-21(16-18-22)27-28(25(30)23-13-7-8-14-24(23)31-27)32-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,26H
InChIKeyKTNLFJKPDKGNFE-UHFFFAOYSA-N
XLogP7.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7746601
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
CID 39773615
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324974
1-(4-chlorophenyl)xanthen-9-one
CID 168812432

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one?
The IUPAC name of 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one (CID 46303321) is 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one.
What is the SMILES notation for 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one?
The canonical SMILES for 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one is O=c1c(OC(c2ccccc2)c2ccccc2)c(-c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one?
The InChIKey is KTNLFJKPDKGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClO3/c29-22-17-15-21(16-18-22)27-28(25(30)23-13-7-8-14-24(23)31-27)32-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,26H.
What are the key properties of 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one?
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one has a molecular weight of 438.91 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one is sourced from PubChem (CID 46303321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).