2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid

C14H20O3 — CID 175280398

IUPAC2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
SMILESCc1ccccc1CC(O)(CC(C)C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)8-14(17,13(15)16)9-12-7-5-4-6-11(12)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyCZLWSEZGRYEVIE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.40
Rot. Bonds5

About 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid

2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid (PubChem CID 175280398) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
PubChem CID175280398
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
SMILESCc1ccccc1CC(O)(CC(C)C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)8-14(17,13(15)16)9-12-7-5-4-6-11(12)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyCZLWSEZGRYEVIE-UHFFFAOYSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450807
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
2-(2-methylphenyl)acetic acid
CID 67440217
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
(2R)-2-amino-2-[(2-methylphenyl)methyl]but-3-enoic acid;hydrochloride
CID 22821412
4-methyl-3-[(2-methylphenyl)methyl]-1,1-bis(methylsulfanyl)pentan-3-ol
CID 11022914

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid?
The IUPAC name of 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid (CID 175280398) is 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid is Cc1ccccc1CC(O)(CC(C)C)C(=O)O.
What is the InChIKey of 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid?
The InChIKey is CZLWSEZGRYEVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)8-14(17,13(15)16)9-12-7-5-4-6-11(12)3/h4-7,10,17H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid?
2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 175280398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).