3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid

C14H20O3 — CID 115112809

IUPAC3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(CC(C)(C)O)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(13(15)16)8-11-4-6-12(7-5-11)9-14(2,3)17/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyNTMYZXPOXXQAMW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds5

About 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid

3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid (PubChem CID 115112809) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
PubChem CID115112809
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(CC(C)(C)O)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(13(15)16)8-11-4-6-12(7-5-11)9-14(2,3)17/h4-7,10,17H,8-9H2,1-3H3,(H,15,16)
InChIKeyNTMYZXPOXXQAMW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84705639
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-[4-(1-fluoroethyl)phenyl]-2-methylpropanoic acid
CID 84677758
3-[4-(aminomethyl)phenyl]-2-methylpropanoic acid;hydrochloride
CID 139945600
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2R)-3-[4-(5,5-dimethyl-3-oxohexyl)phenyl]-2-methylpropanoic acid
CID 130376605
2-methyl-3-[4-(1,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84728609
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid (CID 115112809) is 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid is CC(Cc1ccc(CC(C)(C)O)cc1)C(=O)O.
What is the InChIKey of 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid?
The InChIKey is NTMYZXPOXXQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(13(15)16)8-11-4-6-12(7-5-11)9-14(2,3)17/h4-7,10,17H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid?
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115112809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).