7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one

C23H16Cl2O3 — CID 5025590

IUPAC7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
SMILESCc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H16Cl2O3/c1-14-22(16-5-3-2-4-6-16)23(26)18-9-8-17(12-21(18)28-14)27-13-15-7-10-19(24)20(25)11-15/h2-12H,13H2,1H3
InChIKeyZGLZTHDZZKMLGS-UHFFFAOYSA-N
MW411.28 g/mol
LogP6.65
Rot. Bonds4

About 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one

7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one (PubChem CID 5025590) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
PubChem CID5025590
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
SMILESCc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H16Cl2O3/c1-14-22(16-5-3-2-4-6-16)23(26)18-9-8-17(12-21(18)28-14)27-13-15-7-10-19(24)20(25)11-15/h2-12H,13H2,1H3
InChIKeyZGLZTHDZZKMLGS-UHFFFAOYSA-N
XLogP6.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one (CID 5025590) is 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one is Cc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one?
The InChIKey is ZGLZTHDZZKMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O3/c1-14-22(16-5-3-2-4-6-16)23(26)18-9-8-17(12-21(18)28-14)27-13-15-7-10-19(24)20(25)11-15/h2-12H,13H2,1H3.
What are the key properties of 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one?
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one has a molecular weight of 411.28 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 5025590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).