ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate

C16H16O4 — CID 53221031

IUPACethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H16O4/c1-3-20-16(18)12-6-4-11(5-7-12)13-8-9-15(19-2)14(17)10-13/h4-10,17H,3H2,1-2H3
InChIKeyNUJIQGHAKXZRSE-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.24
Rot. Bonds4

About ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate

ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate (PubChem CID 53221031) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
PubChem CID53221031
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Nameethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H16O4/c1-3-20-16(18)12-6-4-11(5-7-12)13-8-9-15(19-2)14(17)10-13/h4-10,17H,3H2,1-2H3
InChIKeyNUJIQGHAKXZRSE-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(3-hydroxy-4-methoxyphenyl)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

diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate
CID 39904014
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 4-azulen-2-ylbenzoate
CID 122206706
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
6-ethoxycarbonylazulene-2-carboxylate
CID 101434282
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
ethyl 4-[4-(4-ethoxycarbonyl-3-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-hydroxybenzoate
CID 175788176
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate?
The IUPAC name of ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate (CID 53221031) is ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate.
What is the SMILES notation for ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate?
The canonical SMILES for ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate is CCOC(=O)c1ccc(-c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate?
The InChIKey is NUJIQGHAKXZRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-20-16(18)12-6-4-11(5-7-12)13-8-9-15(19-2)14(17)10-13/h4-10,17H,3H2,1-2H3.
What are the key properties of ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate?
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate has a molecular weight of 272.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate is sourced from PubChem (CID 53221031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).