6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one

C23H17ClO4 — CID 2239122

IUPAC6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C23H17ClO4/c1-26-18-8-4-16(5-9-18)23-13-21(25)20-12-19(10-11-22(20)28-23)27-14-15-2-6-17(24)7-3-15/h2-13H,14H2,1H3
InChIKeyYOCAMCJPYFJLPH-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.70
Rot. Bonds5

About 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one

6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 2239122) has the molecular formula C23H17ClO4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID2239122
Molecular FormulaC23H17ClO4
Molecular Weight392.84 g/mol
Exact Mass392.08
IUPAC Name6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C23H17ClO4/c1-26-18-8-4-16(5-9-18)23-13-21(25)20-12-19(10-11-22(20)28-23)27-14-15-2-6-17(24)7-3-15/h2-13H,14H2,1H3
InChIKeyYOCAMCJPYFJLPH-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

7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
CID 11671100
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one (CID 2239122) is 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)cc4)ccc3o2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is YOCAMCJPYFJLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO4/c1-26-18-8-4-16(5-9-18)23-13-21(25)20-12-19(10-11-22(20)28-23)27-14-15-2-6-17(24)7-3-15/h2-13H,14H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one?
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-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 6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 2239122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).