(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid

C10H12O3 — CID 57035958

IUPAC(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)cc([C@@H](O)C(=O)O)c1
InChIInChI=1S/C10H12O3/c1-6-3-7(2)5-8(4-6)9(11)10(12)13/h3-5,9,11H,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyWVGPCMBFXUHREH-SECBINFHSA-N
MW180.20 g/mol
LogP1.42
Rot. Bonds2

About (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid

(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid (PubChem CID 57035958) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
PubChem CID57035958
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)cc([C@@H](O)C(=O)O)c1
InChIInChI=1S/C10H12O3/c1-6-3-7(2)5-8(4-6)9(11)10(12)13/h3-5,9,11H,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyWVGPCMBFXUHREH-SECBINFHSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
2-[3-(3-bromopropanoyl)-5-methylphenyl]-2-hydroxyacetic acid
CID 134657720
2-[(3,5-dimethylphenyl)-hydroxymethyl]butanoic acid
CID 62396252
2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991
2-acetamido-2-(3,5-dimethylphenyl)acetic acid
CID 63702397
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
(1R)-1-(3,5-dimethylphenyl)-2-methylprop-2-en-1-ol
CID 124511678
2-(4-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 171015674
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid (CID 57035958) is (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid is Cc1cc(C)cc([C@@H](O)C(=O)O)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid?
The InChIKey is WVGPCMBFXUHREH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-3-7(2)5-8(4-6)9(11)10(12)13/h3-5,9,11H,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid?
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid has a molecular weight of 180.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 57035958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).