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

C13H14O2 — CID 105454291

IUPAC2-(5-methyl-3H-inden-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CC=C2C(C)C(=O)O
InChIInChI=1S/C13H14O2/c1-8-3-5-12-10(7-8)4-6-11(12)9(2)13(14)15/h3,5-7,9H,4H2,1-2H3,(H,14,15)
InChIKeyMBCMIEOAYDFZCV-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.66
Rot. Bonds2

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

2-(5-methyl-3H-inden-1-yl)propanoic acid (PubChem CID 105454291) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(5-methyl-3H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-3H-inden-1-yl)propanoic acid
PubChem CID105454291
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(5-methyl-3H-inden-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CC=C2C(C)C(=O)O
InChIInChI=1S/C13H14O2/c1-8-3-5-12-10(7-8)4-6-11(12)9(2)13(14)15/h3,5-7,9H,4H2,1-2H3,(H,14,15)
InChIKeyMBCMIEOAYDFZCV-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3H-inden-1-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-3H-inden-1-yl)propanoic acid (CID 105454291) is 2-(5-methyl-3H-inden-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-3H-inden-1-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-3H-inden-1-yl)propanoic acid is Cc1ccc2c(c1)CC=C2C(C)C(=O)O.
What is the InChIKey of 2-(5-methyl-3H-inden-1-yl)propanoic acid?
The InChIKey is MBCMIEOAYDFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8-3-5-12-10(7-8)4-6-11(12)9(2)13(14)15/h3,5-7,9H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methyl-3H-inden-1-yl)propanoic acid?
2-(5-methyl-3H-inden-1-yl)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3H-inden-1-yl)propanoic acid is sourced from PubChem (CID 105454291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).