6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one

C23H16Cl2O5 — CID 56838064

IUPAC6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C23H16Cl2O5/c24-16-6-4-14(5-7-16)12-29-21-11-18(26)22-19(30-21)8-9-20(23(22)27)28-13-15-2-1-3-17(25)10-15/h1-11,27H,12-13H2
InChIKeyQYMRRLZVOWZZMJ-UHFFFAOYSA-N
MW443.28 g/mol
LogP5.96
Rot. Bonds6

About 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one

6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one (PubChem CID 56838064) has the molecular formula C23H16Cl2O5 and a molecular weight of 443.28 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one
PubChem CID56838064
Molecular FormulaC23H16Cl2O5
Molecular Weight443.28 g/mol
Exact Mass442.04
IUPAC Name6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12
InChIInChI=1S/C23H16Cl2O5/c24-16-6-4-14(5-7-16)12-29-21-11-18(26)22-19(30-21)8-9-20(23(22)27)28-13-15-2-1-3-17(25)10-15/h1-11,27H,12-13H2
InChIKeyQYMRRLZVOWZZMJ-UHFFFAOYSA-N
XLogP5.96
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.28
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-iodophenyl)methoxy]-6-[(3-chlorophenyl)methoxy]-5-hydroxychromen-4-one
CID 56838067
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
6-[(3-chlorophenyl)methoxy]-5-hydroxy-7-phenylchromen-4-one
CID 71592769
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
2-(aminomethyl)-5-[(3-chlorophenyl)methoxy]pyran-4-one
CID 82064016
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one (CID 56838064) is 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one is O=c1cc(OCc2ccc(Cl)cc2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
The InChIKey is QYMRRLZVOWZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O5/c24-16-6-4-14(5-7-16)12-29-21-11-18(26)22-19(30-21)8-9-20(23(22)27)28-13-15-2-1-3-17(25)10-15/h1-11,27H,12-13H2.
What are the key properties of 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one?
6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one has a molecular weight of 443.28 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxy]-5-hydroxychromen-4-one is sourced from PubChem (CID 56838064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).