3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid

C15H22O3 — CID 83958510

IUPAC3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
SMILESCc1cc(OCC(C)C)ccc1C(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-10(2)9-18-13-5-6-14(11(3)7-13)12(4)8-15(16)17/h5-7,10,12H,8-9H2,1-4H3,(H,16,17)
InChIKeyQWRUOJLNODLYCK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.61
Rot. Bonds6

About 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid

3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid (PubChem CID 83958510) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
PubChem CID83958510
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
SMILESCc1cc(OCC(C)C)ccc1C(C)CC(=O)O
InChIInChI=1S/C15H22O3/c1-10(2)9-18-13-5-6-14(11(3)7-13)12(4)8-15(16)17/h5-7,10,12H,8-9H2,1-4H3,(H,16,17)
InChIKeyQWRUOJLNODLYCK-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic 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-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
2-[2-methyl-4-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83937075
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
3-(2,4,5-trimethylphenyl)butanoic acid
CID 4206732
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2,6-dimethyl-4-(2-methylpropoxy)benzoic acid
CID 59820032
3-(4-ethoxy-2,6-dimethylphenyl)butanoic acid
CID 83958958
2-[2-(1-carboxy-3-methylbutyl)-4-(2-methylpropoxy)phenyl]-4-methylpentanoic acid
CID 150500133
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
CID 83937000

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid?
The IUPAC name of 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid (CID 83958510) is 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid.
What is the SMILES notation for 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid?
The canonical SMILES for 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid is Cc1cc(OCC(C)C)ccc1C(C)CC(=O)O.
What is the InChIKey of 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid?
The InChIKey is QWRUOJLNODLYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)9-18-13-5-6-14(11(3)7-13)12(4)8-15(16)17/h5-7,10,12H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid?
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid is sourced from PubChem (CID 83958510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).