3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid

C15H18O2 — CID 57312626

IUPAC3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid
SMILESCc1ccc2c(c1)C=C(C(C(=O)O)C(C)C)C2
InChIInChI=1S/C15H18O2/c1-9(2)14(15(16)17)13-7-11-5-4-10(3)6-12(11)8-13/h4-6,8-9,14H,7H2,1-3H3,(H,16,17)
InChIKeyWERGJASTPREFCB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds3

About 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid

3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid (PubChem CID 57312626) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid
PubChem CID57312626
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid
SMILESCc1ccc2c(c1)C=C(C(C(=O)O)C(C)C)C2
InChIInChI=1S/C15H18O2/c1-9(2)14(15(16)17)13-7-11-5-4-10(3)6-12(11)8-13/h4-6,8-9,14H,7H2,1-3H3,(H,16,17)
InChIKeyWERGJASTPREFCB-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-(5-methyl-1H-inden-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid (CID 57312626) is 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid is Cc1ccc2c(c1)C=C(C(C(=O)O)C(C)C)C2.
What is the InChIKey of 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid?
The InChIKey is WERGJASTPREFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9(2)14(15(16)17)13-7-11-5-4-10(3)6-12(11)8-13/h4-6,8-9,14H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid?
3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methyl-1H-inden-2-yl)butanoic acid is sourced from PubChem (CID 57312626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).