2-cyclobutyl-2-(2-methylphenyl)acetic acid

C13H16O2 — CID 83687024

IUPAC2-cyclobutyl-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)C1CCC1
InChIInChI=1S/C13H16O2/c1-9-5-2-3-8-11(9)12(13(14)15)10-6-4-7-10/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,14,15)
InChIKeyTWPIXZXCOBXCSA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds3

About 2-cyclobutyl-2-(2-methylphenyl)acetic acid

2-cyclobutyl-2-(2-methylphenyl)acetic acid (PubChem CID 83687024) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclobutyl-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-(2-methylphenyl)acetic acid
PubChem CID83687024
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclobutyl-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(C(=O)O)C1CCC1
InChIInChI=1S/C13H16O2/c1-9-5-2-3-8-11(9)12(13(14)15)10-6-4-7-10/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,14,15)
InChIKeyTWPIXZXCOBXCSA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
CID 155433521
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011538
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
3-cyclopropyl-2-(2-methylphenyl)propanoic acid
CID 79441994
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-cyclobutyl-2-(2-methylphenyl)acetic acid (CID 83687024) is 2-cyclobutyl-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-cyclobutyl-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-cyclobutyl-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-(2-methylphenyl)acetic acid?
The InChIKey is TWPIXZXCOBXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-2-3-8-11(9)12(13(14)15)10-6-4-7-10/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclobutyl-2-(2-methylphenyl)acetic acid?
2-cyclobutyl-2-(2-methylphenyl)acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 83687024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).