2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid

C13H16O2 — CID 84672432

IUPAC2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(C)CC2CC(=O)O)cc1
InChIInChI=1S/C13H16O2/c1-9-3-5-10(6-4-9)13(2)8-11(13)7-12(14)15/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyXCPWFQSGAKZDGO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid

2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84672432) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
PubChem CID84672432
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
SMILESCc1ccc(C2(C)CC2CC(=O)O)cc1
InChIInChI=1S/C13H16O2/c1-9-3-5-10(6-4-9)13(2)8-11(13)7-12(14)15/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyXCPWFQSGAKZDGO-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid
CID 84712336
2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 105435846
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 72755670
cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
CID 12719796
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584
1,2,3,4,5,6-hexakis(4-methylphenyl)cyclohexane-1,2,3,4,5,6-hexacarboxylic acid
CID 66621345
triethyl-[(2-methyl-2-phenylcyclopropyl)methyl]silane
CID 101158426
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
CID 84653843

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid (CID 84672432) is 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid is Cc1ccc(C2(C)CC2CC(=O)O)cc1.
What is the InChIKey of 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is XCPWFQSGAKZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-3-5-10(6-4-9)13(2)8-11(13)7-12(14)15/h3-6,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid?
2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84672432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).