8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one

C29H20Cl2O4 — CID 3267519

IUPAC8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Cl)cc3)c(COc3ccc(Cl)cc3)c2o1
InChIInChI=1S/C29H20Cl2O4/c30-21-8-6-19(7-9-21)17-34-27-15-14-24-25(20-4-2-1-3-5-20)16-28(32)35-29(24)26(27)18-33-23-12-10-22(31)11-13-23/h1-16H,17-18H2
InChIKeyYZISUQSVLHXFPV-UHFFFAOYSA-N
MW503.38 g/mol
LogP7.92
Rot. Bonds7

About 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one

8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one (PubChem CID 3267519) has the molecular formula C29H20Cl2O4 and a molecular weight of 503.38 g/mol. Its IUPAC name is 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one
PubChem CID3267519
Molecular FormulaC29H20Cl2O4
Molecular Weight503.38 g/mol
Exact Mass502.07
IUPAC Name8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Cl)cc3)c(COc3ccc(Cl)cc3)c2o1
InChIInChI=1S/C29H20Cl2O4/c30-21-8-6-19(7-9-21)17-34-27-15-14-24-25(20-4-2-1-3-5-20)16-28(32)35-29(24)26(27)18-33-23-12-10-22(31)11-13-23/h1-16H,17-18H2
InChIKeyYZISUQSVLHXFPV-UHFFFAOYSA-N
XLogP7.92
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one?
The IUPAC name of 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one (CID 3267519) is 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one?
The canonical SMILES for 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Cl)cc3)c(COc3ccc(Cl)cc3)c2o1.
What is the InChIKey of 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one?
The InChIKey is YZISUQSVLHXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2O4/c30-21-8-6-19(7-9-21)17-34-27-15-14-24-25(20-4-2-1-3-5-20)16-28(32)35-29(24)26(27)18-33-23-12-10-22(31)11-13-23/h1-16H,17-18H2.
What are the key properties of 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one?
8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one has a molecular weight of 503.38 g/mol, XLogP of 7.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenoxy)methyl]-7-[(4-chlorophenyl)methoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 3267519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).