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

C14H16O2 — CID 105469815

IUPAC2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CC=C2C(C)(C)C(=O)O
InChIInChI=1S/C14H16O2/c1-9-4-6-11-10(8-9)5-7-12(11)14(2,3)13(15)16/h4,6-8H,5H2,1-3H3,(H,15,16)
InChIKeyGEZBMJKNRQVAJW-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

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

2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid (PubChem CID 105469815) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid
PubChem CID105469815
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CC=C2C(C)(C)C(=O)O
InChIInChI=1S/C14H16O2/c1-9-4-6-11-10(8-9)5-7-12(11)14(2,3)13(15)16/h4,6-8H,5H2,1-3H3,(H,15,16)
InChIKeyGEZBMJKNRQVAJW-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
CID 105490846
2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105454291
(3S)-3-methyl-3-(methylamino)-4-(5-methyl-3H-inden-1-yl)butan-2-one
CID 158197263
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
CID 105488183
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene
CID 144834022
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
CID 61263948
carbon dioxide;3-cyclohexyl-6-methyl-1H-indene
CID 123321986
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid (CID 105469815) is 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid is Cc1ccc2c(c1)CC=C2C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid?
The InChIKey is GEZBMJKNRQVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-4-6-11-10(8-9)5-7-12(11)14(2,3)13(15)16/h4,6-8H,5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid?
2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-3H-inden-1-yl)propanoic acid is sourced from PubChem (CID 105469815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).