4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid

C16H24O2 — CID 63401940

IUPAC4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
SMILESCCCC(C)CC(Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-4-5-13(3)10-15(16(17)18)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyIINYQFWPILDNDJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.06
Rot. Bonds7

About 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid

4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid (PubChem CID 63401940) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
PubChem CID63401940
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
SMILESCCCC(C)CC(Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-4-5-13(3)10-15(16(17)18)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyIINYQFWPILDNDJ-UHFFFAOYSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-[(4-methylphenyl)methyl]heptanoic 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-benzyl-4-methylheptanoic acid
CID 62266775
4-methyl-1-(4-methylphenyl)heptan-2-amine
CID 62605792
2-(iodomethyl)-3-(4-methylphenyl)propanoic acid
CID 11779777
5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 79419105
2-[(4-methylphenyl)methyl]hex-5-ynoic acid
CID 79419258
2-[(4-nitrophenyl)methyl]-4-propylpentanedioic acid
CID 70254208
5-methoxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 54935563
(2S)-2-(acetylsulfanylmethyl)-3-(4-methylphenyl)propanoic acid
CID 129362856
6,6-dimethyl-2-[(4-methylphenyl)methyl]hept-4-ynoic acid
CID 114190057
2-[(4-hydroxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid
CID 101200992
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid (CID 63401940) is 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid is CCCC(C)CC(Cc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid?
The InChIKey is IINYQFWPILDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-5-13(3)10-15(16(17)18)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid?
4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid is sourced from PubChem (CID 63401940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).