methyl 3,4-bis(4-hydroxyphenyl)benzoate

C20H16O4 — CID 22669999

IUPACmethyl 3,4-bis(4-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H16O4/c1-24-20(23)15-6-11-18(13-2-7-16(21)8-3-13)19(12-15)14-4-9-17(22)10-5-14/h2-12,21-22H,1H3
InChIKeyGZXULPYLAKARGW-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.22
Rot. Bonds3

About methyl 3,4-bis(4-hydroxyphenyl)benzoate

methyl 3,4-bis(4-hydroxyphenyl)benzoate (PubChem CID 22669999) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 3,4-bis(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3,4-bis(4-hydroxyphenyl)benzoate
PubChem CID22669999
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 3,4-bis(4-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H16O4/c1-24-20(23)15-6-11-18(13-2-7-16(21)8-3-13)19(12-15)14-4-9-17(22)10-5-14/h2-12,21-22H,1H3
InChIKeyGZXULPYLAKARGW-UHFFFAOYSA-N
XLogP4.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3,4-bis(4-hydroxyphenyl)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

methyl 3-(4-hydroxyphenyl)-1-benzothiophene-5-carboxylate
CID 59509375
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
methyl 3-(4-nitrophenyl)-4-phenylbenzoate
CID 71664817
CID 159177716
CID 159177716
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-bis(4-hydroxyphenyl)benzoate?
The IUPAC name of methyl 3,4-bis(4-hydroxyphenyl)benzoate (CID 22669999) is methyl 3,4-bis(4-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 3,4-bis(4-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 3,4-bis(4-hydroxyphenyl)benzoate is COC(=O)c1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of methyl 3,4-bis(4-hydroxyphenyl)benzoate?
The InChIKey is GZXULPYLAKARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-24-20(23)15-6-11-18(13-2-7-16(21)8-3-13)19(12-15)14-4-9-17(22)10-5-14/h2-12,21-22H,1H3.
What are the key properties of methyl 3,4-bis(4-hydroxyphenyl)benzoate?
methyl 3,4-bis(4-hydroxyphenyl)benzoate has a molecular weight of 320.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-bis(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 22669999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).