4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid

C15H12O5 — CID 23202389

IUPAC4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
SMILESCc1cc(O)ccc1C(=O)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12O5/c1-9-8-11(16)4-7-13(9)15(19)20-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyRPFSTWMIOOVCAJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid

4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid (PubChem CID 23202389) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
PubChem CID23202389
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid
SMILESCc1cc(O)ccc1C(=O)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12O5/c1-9-8-11(16)4-7-13(9)15(19)20-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyRPFSTWMIOOVCAJ-UHFFFAOYSA-N
XLogP2.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenoxy)carbonyl-3-(4-hydroxyphenyl)benzoic acid
CID 67898543
4-(6-hydroxynaphthalene-1-carbonyl)oxybenzoic acid
CID 57085233
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
bis(4-butoxyphenyl) 2-methylbenzene-1,4-dicarboxylate
CID 132521285
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid?
The IUPAC name of 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid (CID 23202389) is 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid?
The canonical SMILES for 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid is Cc1cc(O)ccc1C(=O)Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid?
The InChIKey is RPFSTWMIOOVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-9-8-11(16)4-7-13(9)15(19)20-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid?
4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylbenzoyl)oxybenzoic acid is sourced from PubChem (CID 23202389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).