[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate

C27H23ClO7 — CID 21001601

IUPAC[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2c(-c3ccc(OC)c(OC)c3)oc3cc(C)c(Cl)cc3c2=O)cc1
InChIInChI=1S/C27H23ClO7/c1-15-11-22-19(14-20(15)28)25(30)27(35-24(29)12-16-5-8-18(31-2)9-6-16)26(34-22)17-7-10-21(32-3)23(13-17)33-4/h5-11,13-14H,12H2,1-4H3
InChIKeyOWNGWOASCAIPKS-UHFFFAOYSA-N
MW494.93 g/mol
LogP5.60
Rot. Bonds7

About [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate

[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 21001601) has the molecular formula C27H23ClO7 and a molecular weight of 494.93 g/mol. Its IUPAC name is [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
PubChem CID21001601
Molecular FormulaC27H23ClO7
Molecular Weight494.93 g/mol
Exact Mass494.11
IUPAC Name[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2c(-c3ccc(OC)c(OC)c3)oc3cc(C)c(Cl)cc3c2=O)cc1
InChIInChI=1S/C27H23ClO7/c1-15-11-22-19(14-20(15)28)25(30)27(35-24(29)12-16-5-8-18(31-2)9-6-16)26(34-22)17-7-10-21(32-3)23(13-17)33-4/h5-11,13-14H,12H2,1-4H3
InChIKeyOWNGWOASCAIPKS-UHFFFAOYSA-N
XLogP5.60
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate with MolForge

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Related Compounds

[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 21001603
[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 3,4-dimethoxybenzoate
CID 21001526
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] benzoate
CID 21001587
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 3,4-dimethoxybenzoate
CID 21001539
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2-chlorophenyl)propanamide
CID 21001457
[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999830
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 23471863
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate (CID 21001601) is [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2c(-c3ccc(OC)c(OC)c3)oc3cc(C)c(Cl)cc3c2=O)cc1.
What is the InChIKey of [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is OWNGWOASCAIPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClO7/c1-15-11-22-19(14-20(15)28)25(30)27(35-24(29)12-16-5-8-18(31-2)9-6-16)26(34-22)17-7-10-21(32-3)23(13-17)33-4/h5-11,13-14H,12H2,1-4H3.
What are the key properties of [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate?
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 494.93 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 21001601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).