4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid

C20H14O6 — CID 67898543

IUPAC4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Oc2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H14O6/c21-14-4-1-12(2-5-14)18-11-13(19(23)24)3-10-17(18)20(25)26-16-8-6-15(22)7-9-16/h1-11,21-22H,(H,23,24)
InChIKeyBHCDSXZCUGFCKJ-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.68
Rot. Bonds4

About 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid

4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid (PubChem CID 67898543) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
PubChem CID67898543
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Oc2ccc(O)cc2)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C20H14O6/c21-14-4-1-12(2-5-14)18-11-13(19(23)24)3-10-17(18)20(25)26-16-8-6-15(22)7-9-16/h1-11,21-22H,(H,23,24)
InChIKeyBHCDSXZCUGFCKJ-UHFFFAOYSA-N
XLogP3.68
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid 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-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
4-(4-nonylphenoxy)carbonyl-3-(4-nonylphenyl)benzoic acid
CID 135326379
diphenyl 2-phenylbenzene-1,4-dicarboxylate
CID 67591432
4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
CID 23202389
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
2-[10-[4-(4-hydroxyphenyl)phenoxy]decoxy]terephthalic acid
CID 100915852
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
4-[4-[4-(3,4-dicarboxybenzoyl)oxyphenyl]phenoxy]carbonylphthalic acid;ethane
CID 163623583
3-bromo-4-phenoxycarbonylbenzoic acid
CID 139624346
4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
CID 101414949
4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
CID 57085233
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid?
The IUPAC name of 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid (CID 67898543) is 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid is O=C(O)c1ccc(C(=O)Oc2ccc(O)cc2)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid?
The InChIKey is BHCDSXZCUGFCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c21-14-4-1-12(2-5-14)18-11-13(19(23)24)3-10-17(18)20(25)26-16-8-6-15(22)7-9-16/h1-11,21-22H,(H,23,24).
What are the key properties of 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid?
4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid has a molecular weight of 350.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 67898543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).