4-(4-methoxycarbonyloxyphenyl)benzoic acid

C15H12O5 — CID 18328408

IUPAC4-(4-methoxycarbonyloxyphenyl)benzoic acid
SMILESCOC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O5/c1-19-15(18)20-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKeyRYNLFQGTWPOGQU-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.20
Rot. Bonds3

About 4-(4-methoxycarbonyloxyphenyl)benzoic acid

4-(4-methoxycarbonyloxyphenyl)benzoic acid (PubChem CID 18328408) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(4-methoxycarbonyloxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-methoxycarbonyloxyphenyl)benzoic acid
PubChem CID18328408
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name4-(4-methoxycarbonyloxyphenyl)benzoic acid
SMILESCOC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O5/c1-19-15(18)20-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKeyRYNLFQGTWPOGQU-UHFFFAOYSA-N
XLogP3.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methoxycarbonyloxybenzoate
CID 584598
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
4-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854970
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl (4-phenoxyphenyl) carbonate
CID 19704468
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
4-methoxybenzoic acid;hydrobromide
CID 172731707
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycarbonyloxyphenyl)benzoic acid?
The IUPAC name of 4-(4-methoxycarbonyloxyphenyl)benzoic acid (CID 18328408) is 4-(4-methoxycarbonyloxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-methoxycarbonyloxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-methoxycarbonyloxyphenyl)benzoic acid is COC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-methoxycarbonyloxyphenyl)benzoic acid?
The InChIKey is RYNLFQGTWPOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-19-15(18)20-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14(16)17/h2-9H,1H3,(H,16,17).
What are the key properties of 4-(4-methoxycarbonyloxyphenyl)benzoic acid?
4-(4-methoxycarbonyloxyphenyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycarbonyloxyphenyl)benzoic acid is sourced from PubChem (CID 18328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).