2-(5-hydroxy-2,3-dimethylphenyl)acetic acid

C10H12O3 — CID 118996271

IUPAC2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
SMILESCc1cc(O)cc(CC(=O)O)c1C
InChIInChI=1S/C10H12O3/c1-6-3-9(11)4-8(7(6)2)5-10(12)13/h3-4,11H,5H2,1-2H3,(H,12,13)
InChIKeyDJQYYFVXXDBWDG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.64
Rot. Bonds2

About 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid

2-(5-hydroxy-2,3-dimethylphenyl)acetic acid (PubChem CID 118996271) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
PubChem CID118996271
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
SMILESCc1cc(O)cc(CC(=O)O)c1C
InChIInChI=1S/C10H12O3/c1-6-3-9(11)4-8(7(6)2)5-10(12)13/h3-4,11H,5H2,1-2H3,(H,12,13)
InChIKeyDJQYYFVXXDBWDG-UHFFFAOYSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
methane;3,4,5-trimethylphenol
CID 174273113
2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
CID 67811106
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
3-[(3-hydroxy-5-methylphenyl)methyl]-4,5-dimethylphenol
CID 134286117
2-(2-iodyl-3,5,6-trimethylphenyl)acetic acid
CID 23357374
2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
CID 84773961
2-[7,10-bis(carboxymethyl)-3,6,11-trimethyltriphenylen-2-yl]acetic acid
CID 134370983
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
CID 24972403
2-methyl-6-propylbenzene-1,4-diol
CID 11708116
2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677
2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 18770874

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid?
The IUPAC name of 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid (CID 118996271) is 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid is Cc1cc(O)cc(CC(=O)O)c1C.
What is the InChIKey of 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid?
The InChIKey is DJQYYFVXXDBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-3-9(11)4-8(7(6)2)5-10(12)13/h3-4,11H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid?
2-(5-hydroxy-2,3-dimethylphenyl)acetic acid has a molecular weight of 180.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3-dimethylphenyl)acetic acid is sourced from PubChem (CID 118996271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).