2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid

C12H14O4 — CID 658274

IUPAC2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)c(C)cc1CC(=O)O
InChIInChI=1S/C12H14O4/c1-7-3-10(6-12(15)16)8(2)4-9(7)5-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKHLBVGJKSPRIHX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid

2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid (PubChem CID 658274) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
PubChem CID658274
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)c(C)cc1CC(=O)O
InChIInChI=1S/C12H14O4/c1-7-3-10(6-12(15)16)8(2)4-9(7)5-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKHLBVGJKSPRIHX-UHFFFAOYSA-N
XLogP1.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7,10-bis(carboxymethyl)-3,6,11-trimethyltriphenylen-2-yl]acetic acid
CID 134370983
2-[2-(bromomethyl)-4,5-dimethylphenyl]acetic acid
CID 171024502
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(4,5-dimethyl-2-methylsulfonylphenyl)acetic acid
CID 117357836
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
CID 118996271
2-(2-methylphenyl)acetic acid
CID 67440217
2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid (CID 658274) is 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid is Cc1cc(CC(=O)O)c(C)cc1CC(=O)O.
What is the InChIKey of 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid?
The InChIKey is KHLBVGJKSPRIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-3-10(6-12(15)16)8(2)4-9(7)5-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid?
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid is sourced from PubChem (CID 658274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).