3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one

C25H21ClO4 — CID 20999766

IUPAC3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H21ClO4/c1-15-11-21-22(12-16(15)2)30-24(18-7-9-20(28-3)10-8-18)25(23(21)27)29-14-17-5-4-6-19(26)13-17/h4-13H,14H2,1-3H3
InChIKeyZFYROSFHXIFQAH-UHFFFAOYSA-N
MW420.89 g/mol
LogP6.32
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one

3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one (PubChem CID 20999766) has the molecular formula C25H21ClO4 and a molecular weight of 420.89 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
PubChem CID20999766
Molecular FormulaC25H21ClO4
Molecular Weight420.89 g/mol
Exact Mass420.11
IUPAC Name3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H21ClO4/c1-15-11-21-22(12-16(15)2)30-24(18-7-9-20(28-3)10-8-18)25(23(21)27)29-14-17-5-4-6-19(26)13-17/h4-13H,14H2,1-3H3
InChIKeyZFYROSFHXIFQAH-UHFFFAOYSA-N
XLogP6.32
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.89
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
CID 21001350
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one (CID 20999766) is 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one?
The InChIKey is ZFYROSFHXIFQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClO4/c1-15-11-21-22(12-16(15)2)30-24(18-7-9-20(28-3)10-8-18)25(23(21)27)29-14-17-5-4-6-19(26)13-17/h4-13H,14H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one?
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one has a molecular weight of 420.89 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 20999766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).