2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid

C16H14O5 — CID 19102969

IUPAC2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid
SMILESCc1ccc(CC(=O)O)c(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14O5/c1-10-6-7-11(9-15(17)18)14(8-10)21-13-5-3-2-4-12(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDORTVNHXYCTYKB-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid

2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid (PubChem CID 19102969) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid
PubChem CID19102969
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid
SMILESCc1ccc(CC(=O)O)c(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H14O5/c1-10-6-7-11(9-15(17)18)14(8-10)21-13-5-3-2-4-12(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDORTVNHXYCTYKB-UHFFFAOYSA-N
XLogP3.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-5-methylphenoxy)benzoic acid
CID 14221471
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
5-methyl-2-(2-methylsulfonylphenoxy)benzoic acid
CID 61396262
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid?
The IUPAC name of 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid (CID 19102969) is 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid.
What is the SMILES notation for 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid?
The canonical SMILES for 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid is Cc1ccc(CC(=O)O)c(Oc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid?
The InChIKey is DORTVNHXYCTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10-6-7-11(9-15(17)18)14(8-10)21-13-5-3-2-4-12(13)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid?
2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid is sourced from PubChem (CID 19102969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).