1-(4-methylphenyl)cyclobutane-1-carboxylic acid

C12H14O2 — CID 23295038

IUPAC1-(4-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C12H14O2/c1-9-3-5-10(6-4-9)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGFNPCJCIUWSWIV-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-methylphenyl)cyclobutane-1-carboxylic acid

1-(4-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 23295038) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(4-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID23295038
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(4-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C12H14O2/c1-9-3-5-10(6-4-9)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGFNPCJCIUWSWIV-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)cyclobutane-1-carboxylic acid (CID 23295038) is 1-(4-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)cyclobutane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is GFNPCJCIUWSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-3-5-10(6-4-9)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 1-(4-methylphenyl)cyclobutane-1-carboxylic acid?
1-(4-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 23295038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).