6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one

C22H15ClO4 — CID 71592769

IUPAC6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one
SMILESO=c1ccoc2cc(-c3ccccc3)c(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C22H15ClO4/c23-16-8-4-5-14(11-16)13-27-22-17(15-6-2-1-3-7-15)12-19-20(21(22)25)18(24)9-10-26-19/h1-12,25H,13H2
InChIKeyMRJWUGKXANIGPL-UHFFFAOYSA-N
MW378.81 g/mol
LogP5.40
Rot. Bonds4

About 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one

6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one (PubChem CID 71592769) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one
PubChem CID71592769
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Name6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one
SMILESO=c1ccoc2cc(-c3ccccc3)c(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C22H15ClO4/c23-16-8-4-5-14(11-16)13-27-22-17(15-6-2-1-3-7-15)12-19-20(21(22)25)18(24)9-10-26-19/h1-12,25H,13H2
InChIKeyMRJWUGKXANIGPL-UHFFFAOYSA-N
XLogP5.40
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one (CID 71592769) is 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one is O=c1ccoc2cc(-c3ccccc3)c(OCc3cccc(Cl)c3)c(O)c12.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one?
The InChIKey is MRJWUGKXANIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO4/c23-16-8-4-5-14(11-16)13-27-22-17(15-6-2-1-3-7-15)12-19-20(21(22)25)18(24)9-10-26-19/h1-12,25H,13H2.
What are the key properties of 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one?
6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one has a molecular weight of 378.81 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one is sourced from PubChem (CID 71592769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).