2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid

C17H14O9 — CID 20733049

IUPAC2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1COOCOC(=O)c1cc(O)ccc1C(=O)O
InChIInChI=1S/C17H14O9/c18-11-5-6-13(16(21)22)14(7-11)17(23)24-9-26-25-8-10-3-1-2-4-12(10)15(19)20/h1-7,18H,8-9H2,(H,19,20)(H,21,22)
InChIKeyOGAWNRLCWJUQPD-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.05
Rot. Bonds8

About 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid

2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid (PubChem CID 20733049) has the molecular formula C17H14O9 and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid
PubChem CID20733049
Molecular FormulaC17H14O9
Molecular Weight362.29 g/mol
Exact Mass362.06
IUPAC Name2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1COOCOC(=O)c1cc(O)ccc1C(=O)O
InChIInChI=1S/C17H14O9/c18-11-5-6-13(16(21)22)14(7-11)17(23)24-9-26-25-8-10-3-1-2-4-12(10)15(19)20/h1-7,18H,8-9H2,(H,19,20)(H,21,22)
InChIKeyOGAWNRLCWJUQPD-UHFFFAOYSA-N
XLogP2.05
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic 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-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid
CID 22626369
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
dibenzyl 4-hydroxybenzene-1,2-dicarboxylate;dihexyl 4-hydroxybenzene-1,2-dicarboxylate;phthalic acid
CID 159562956
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
4-hydroxyphthalic acid;hydrate
CID 171991193
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2-(3-aminoprop-2-enyl)benzoic acid
CID 66692932
2-(dihydroxyphosphanyloxymethyl)benzoic acid
CID 145267379
2-[4-[4-[(2-carboxyphenyl)methylperoxy]phenoxy]phenoxy]carbonyl-4-nitrobenzoic acid
CID 20733379
2-[[4-[4-[(2-carboxyphenyl)methoxyamino]phenoxy]phenyl]carbamoyl]-5-hydroxybenzoic acid
CID 20733372
2-(benzamidooxymethyl)benzoic acid
CID 87883504

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid?
The IUPAC name of 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid (CID 20733049) is 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid?
The canonical SMILES for 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid is O=C(O)c1ccccc1COOCOC(=O)c1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid?
The InChIKey is OGAWNRLCWJUQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O9/c18-11-5-6-13(16(21)22)14(7-11)17(23)24-9-26-25-8-10-3-1-2-4-12(10)15(19)20/h1-7,18H,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid?
2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid has a molecular weight of 362.29 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 20733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).