5-(4-carboxyphenoxy)-2-methoxybenzoic acid

C15H12O6 — CID 162997010

IUPAC5-(4-carboxyphenoxy)-2-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1C(=O)O
InChIInChI=1S/C15H12O6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyMMJGGNPWGQSTGP-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.88
Rot. Bonds5

About 5-(4-carboxyphenoxy)-2-methoxybenzoic acid

5-(4-carboxyphenoxy)-2-methoxybenzoic acid (PubChem CID 162997010) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-(4-carboxyphenoxy)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(4-carboxyphenoxy)-2-methoxybenzoic acid
PubChem CID162997010
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Name5-(4-carboxyphenoxy)-2-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1C(=O)O
InChIInChI=1S/C15H12O6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyMMJGGNPWGQSTGP-UHFFFAOYSA-N
XLogP2.88
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
4-(4-methoxy-3-nitrophenoxy)benzoic acid
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4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
4-(3,4-dicarboxyphenoxy)benzene-1,3-dicarboxylic acid
CID 122207296
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
CID 25133992
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
5-(3-carboxybenzoyl)-2-methoxybenzoic acid
CID 71390290
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-(4-acetylphenoxy)benzoic acid
CID 60723234

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxyphenoxy)-2-methoxybenzoic acid?
The IUPAC name of 5-(4-carboxyphenoxy)-2-methoxybenzoic acid (CID 162997010) is 5-(4-carboxyphenoxy)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(4-carboxyphenoxy)-2-methoxybenzoic acid?
The canonical SMILES for 5-(4-carboxyphenoxy)-2-methoxybenzoic acid is COc1ccc(Oc2ccc(C(=O)O)cc2)cc1C(=O)O.
What is the InChIKey of 5-(4-carboxyphenoxy)-2-methoxybenzoic acid?
The InChIKey is MMJGGNPWGQSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-20-13-7-6-11(8-12(13)15(18)19)21-10-4-2-9(3-5-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(4-carboxyphenoxy)-2-methoxybenzoic acid?
5-(4-carboxyphenoxy)-2-methoxybenzoic acid has a molecular weight of 288.26 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carboxyphenoxy)-2-methoxybenzoic acid is sourced from PubChem (CID 162997010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).