4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid

C16H14O6 — CID 22626369

IUPAC4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid
SMILESCOCOC(=O)c1ccccc1-c1cc(O)ccc1C(=O)O
InChIInChI=1S/C16H14O6/c1-21-9-22-16(20)13-5-3-2-4-11(13)14-8-10(17)6-7-12(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyFKGKBDWZUJSVSI-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.52
Rot. Bonds5

About 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid

4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid (PubChem CID 22626369) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid
PubChem CID22626369
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid
SMILESCOCOC(=O)c1ccccc1-c1cc(O)ccc1C(=O)O
InChIInChI=1S/C16H14O6/c1-21-9-22-16(20)13-5-3-2-4-11(13)14-8-10(17)6-7-12(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyFKGKBDWZUJSVSI-UHFFFAOYSA-N
XLogP2.52
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
CID 141181595
2-[(2-carboxyphenyl)methylperoxymethoxycarbonyl]-4-hydroxybenzoic acid
CID 20733049
4-(2-ethoxycarbonylphenoxy)carbonyl-2-(2-methoxycarbonylphenyl)benzoic acid
CID 154182109
2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
CID 141273895
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
methoxymethyl 4-hydroxybenzoate
CID 58114704
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
CID 146356534
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid?
The IUPAC name of 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid (CID 22626369) is 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid?
The canonical SMILES for 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid is COCOC(=O)c1ccccc1-c1cc(O)ccc1C(=O)O.
What is the InChIKey of 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid?
The InChIKey is FKGKBDWZUJSVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-9-22-16(20)13-5-3-2-4-11(13)14-8-10(17)6-7-12(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid?
4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid has a molecular weight of 302.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid is sourced from PubChem (CID 22626369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).