3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one

C24H19ClO3 — CID 2000257

IUPAC3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
SMILESCc1ccc(C)c(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1
InChIInChI=1S/C24H19ClO3/c1-15-3-4-16(2)18(11-15)13-27-20-9-10-21-23(12-20)28-14-22(24(21)26)17-5-7-19(25)8-6-17/h3-12,14H,13H2,1-2H3
InChIKeyPAWAWDDBWROVNN-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.31
Rot. Bonds4

About 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one

3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one (PubChem CID 2000257) has the molecular formula C24H19ClO3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
PubChem CID2000257
Molecular FormulaC24H19ClO3
Molecular Weight390.87 g/mol
Exact Mass390.10
IUPAC Name3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
SMILESCc1ccc(C)c(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1
InChIInChI=1S/C24H19ClO3/c1-15-3-4-16(2)18(11-15)13-27-20-9-10-21-23(12-20)28-14-22(24(21)26)17-5-7-19(25)8-6-17/h3-12,14H,13H2,1-2H3
InChIKeyPAWAWDDBWROVNN-UHFFFAOYSA-N
XLogP6.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
(2R)-2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 693182
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 2792629
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
3-(4-chlorophenyl)-7-[4-[2-(dimethylamino)ethyl-methylamino]butoxy]chromen-4-one;dihydrochloride
CID 168920338
3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
CID 4627849
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
CID 2062764
ethyl 2-[[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23989788
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one (CID 2000257) is 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one is Cc1ccc(C)c(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one?
The InChIKey is PAWAWDDBWROVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO3/c1-15-3-4-16(2)18(11-15)13-27-20-9-10-21-23(12-20)28-14-22(24(21)26)17-5-7-19(25)8-6-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one?
3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one has a molecular weight of 390.87 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 2000257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).