6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one

C28H21ClO4 — CID 21001350

IUPAC6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCc2cccc3ccccc23)cc1
InChIInChI=1S/C28H21ClO4/c1-17-14-25-23(15-24(17)29)26(30)28(27(33-25)19-10-12-21(31-2)13-11-19)32-16-20-8-5-7-18-6-3-4-9-22(18)20/h3-15H,16H2,1-2H3
InChIKeyCBSMVWULNLZVOJ-UHFFFAOYSA-N
MW456.93 g/mol
LogP7.16
Rot. Bonds5

About 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one

6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one (PubChem CID 21001350) has the molecular formula C28H21ClO4 and a molecular weight of 456.93 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
PubChem CID21001350
Molecular FormulaC28H21ClO4
Molecular Weight456.93 g/mol
Exact Mass456.11
IUPAC Name6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCc2cccc3ccccc23)cc1
InChIInChI=1S/C28H21ClO4/c1-17-14-25-23(15-24(17)29)26(30)28(27(33-25)19-10-12-21(31-2)13-11-19)32-16-20-8-5-7-18-6-3-4-9-22(18)20/h3-15H,16H2,1-2H3
InChIKeyCBSMVWULNLZVOJ-UHFFFAOYSA-N
XLogP7.16
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-6,7-dimethyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
CID 20999551
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] benzoate
CID 21001587
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 21001040
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 21000993
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 21001601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one (CID 21001350) is 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one is COc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCc2cccc3ccccc23)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one?
The InChIKey is CBSMVWULNLZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClO4/c1-17-14-25-23(15-24(17)29)26(30)28(27(33-25)19-10-12-21(31-2)13-11-19)32-16-20-8-5-7-18-6-3-4-9-22(18)20/h3-15H,16H2,1-2H3.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one?
6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one has a molecular weight of 456.93 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one is sourced from PubChem (CID 21001350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).