2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one

C23H17ClO4 — CID 141293952

IUPAC2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
SMILESCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C23H17ClO4/c1-26-18-11-21(27-14-15-5-3-2-4-6-15)23-19(25)13-20(28-22(23)12-18)16-7-9-17(24)10-8-16/h2-13H,14H2,1H3
InChIKeyLHUHCOZXTRSIJN-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.70
Rot. Bonds5

About 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one

2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one (PubChem CID 141293952) has the molecular formula C23H17ClO4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
PubChem CID141293952
Molecular FormulaC23H17ClO4
Molecular Weight392.84 g/mol
Exact Mass392.08
IUPAC Name2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
SMILESCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C23H17ClO4/c1-26-18-11-21(27-14-15-5-3-2-4-6-15)23-19(25)13-20(28-22(23)12-18)16-7-9-17(24)10-8-16/h2-13H,14H2,1H3
InChIKeyLHUHCOZXTRSIJN-UHFFFAOYSA-N
XLogP5.70
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
2-(3-benzyl-4,5-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 127045296
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one (CID 141293952) is 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one is COc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one?
The InChIKey is LHUHCOZXTRSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO4/c1-26-18-11-21(27-14-15-5-3-2-4-6-15)23-19(25)13-20(28-22(23)12-18)16-7-9-17(24)10-8-16/h2-13H,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one?
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one has a molecular weight of 392.84 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one is sourced from PubChem (CID 141293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).