(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate

C20H16O4 — CID 66793522

IUPAC(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
SMILESCc1cc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)ccc1O
InChIInChI=1S/C20H16O4/c1-13-12-18(10-11-19(13)22)24-20(23)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-12,21-22H,1H3
InChIKeyGLJWSTVWZFNYHG-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.29
Rot. Bonds3

About (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate

(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate (PubChem CID 66793522) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
PubChem CID66793522
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate
SMILESCc1cc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)ccc1O
InChIInChI=1S/C20H16O4/c1-13-12-18(10-11-19(13)22)24-20(23)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-12,21-22H,1H3
InChIKeyGLJWSTVWZFNYHG-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-hydroxy-3-methylphenyl) 4-(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

[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277
(4-hydroxy-3-methylphenyl) 6-acetyloxynaphthalene-2-carboxylate
CID 143504354
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate (CID 66793522) is (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate is Cc1cc(OC(=O)c2ccc(-c3ccc(O)cc3)cc2)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate?
The InChIKey is GLJWSTVWZFNYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13-12-18(10-11-19(13)22)24-20(23)16-4-2-14(3-5-16)15-6-8-17(21)9-7-15/h2-12,21-22H,1H3.
What are the key properties of (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate?
(4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate has a molecular weight of 320.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl) 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 66793522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).