(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

C23H24O8 — CID 4693748

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1ccc2c(COC(=O)CCc3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C23H24O8/c1-26-16-6-7-17-15(11-22(25)31-18(17)12-16)13-30-21(24)8-5-14-9-19(27-2)23(29-4)20(10-14)28-3/h6-7,9-12H,5,8,13H2,1-4H3
InChIKeyXSJIZTVGFXFGGH-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.50
Rot. Bonds9

About (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 4693748) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID4693748
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1ccc2c(COC(=O)CCc3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C23H24O8/c1-26-16-6-7-17-15(11-22(25)31-18(17)12-16)13-30-21(24)8-5-14-9-19(27-2)23(29-4)20(10-14)28-3/h6-7,9-12H,5,8,13H2,1-4H3
InChIKeyXSJIZTVGFXFGGH-UHFFFAOYSA-N
XLogP3.50
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate 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

(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 3991487
(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 7265351
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811334

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate (CID 4693748) is (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate is COc1ccc2c(COC(=O)CCc3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is XSJIZTVGFXFGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-26-16-6-7-17-15(11-22(25)31-18(17)12-16)13-30-21(24)8-5-14-9-19(27-2)23(29-4)20(10-14)28-3/h6-7,9-12H,5,8,13H2,1-4H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 428.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 4693748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).