(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate

C21H20O7 — CID 7811334

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1OC
InChIInChI=1S/C21H20O7/c1-4-26-17-8-5-13(9-19(17)25-3)21(23)27-12-14-10-20(22)28-18-11-15(24-2)6-7-16(14)18/h5-11H,4,12H2,1-3H3
InChIKeyNCDAMGWVOXWDNY-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.57
Rot. Bonds7

About (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate

(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate (PubChem CID 7811334) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
PubChem CID7811334
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1OC
InChIInChI=1S/C21H20O7/c1-4-26-17-8-5-13(9-19(17)25-3)21(23)27-12-14-10-20(22)28-18-11-15(24-2)6-7-16(14)18/h5-11H,4,12H2,1-3H3
InChIKeyNCDAMGWVOXWDNY-UHFFFAOYSA-N
XLogP3.57
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate 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 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654387
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558646
(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
CID 7676822
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558613
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-ethyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702528
(7-methoxy-2-oxochromen-4-yl)methyl 4-(ethylsulfamoyl)benzoate
CID 7828090
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylmethyl]-7-methoxychromen-2-one
CID 52950059

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate (CID 7811334) is (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cc1OC.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The InChIKey is NCDAMGWVOXWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O7/c1-4-26-17-8-5-13(9-19(17)25-3)21(23)27-12-14-10-20(22)28-18-11-15(24-2)6-7-16(14)18/h5-11H,4,12H2,1-3H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate has a molecular weight of 384.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7811334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).