methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate

C19H20O5 — CID 14820048

IUPACmethyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate
SMILESCCc1cc(C(=O)c2cccc(C(=O)OC)c2)c(OC)cc1OC
InChIInChI=1S/C19H20O5/c1-5-12-10-15(17(23-3)11-16(12)22-2)18(20)13-7-6-8-14(9-13)19(21)24-4/h6-11H,5H2,1-4H3
InChIKeyICQQDWOECLRXIS-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.28
Rot. Bonds6

About methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate

methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate (PubChem CID 14820048) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate
PubChem CID14820048
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate
SMILESCCc1cc(C(=O)c2cccc(C(=O)OC)c2)c(OC)cc1OC
InChIInChI=1S/C19H20O5/c1-5-12-10-15(17(23-3)11-16(12)22-2)18(20)13-7-6-8-14(9-13)19(21)24-4/h6-11H,5H2,1-4H3
InChIKeyICQQDWOECLRXIS-UHFFFAOYSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate 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

CID 70265363
CID 70265363
CID 159558349
CID 159558349
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
methyl 3-acetylbenzoate
CID 15094405
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate?
The IUPAC name of methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate (CID 14820048) is methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate.
What is the SMILES notation for methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate?
The canonical SMILES for methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate is CCc1cc(C(=O)c2cccc(C(=O)OC)c2)c(OC)cc1OC.
What is the InChIKey of methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate?
The InChIKey is ICQQDWOECLRXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-5-12-10-15(17(23-3)11-16(12)22-2)18(20)13-7-6-8-14(9-13)19(21)24-4/h6-11H,5H2,1-4H3.
What are the key properties of methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate?
methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate is sourced from PubChem (CID 14820048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).