propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate

C15H20O2 — CID 112724219

IUPACpropan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
SMILESCc1cccc(C2(C(=O)OC(C)C)CCC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)17-14(16)15(8-5-9-15)13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyOFXCCTYASMOTMY-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds3

About propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate

propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate (PubChem CID 112724219) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
PubChem CID112724219
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namepropan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
SMILESCc1cccc(C2(C(=O)OC(C)C)CCC2)c1
InChIInChI=1S/C15H20O2/c1-11(2)17-14(16)15(8-5-9-15)13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyOFXCCTYASMOTMY-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103801488
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
(3-methylphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293703
2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 62818648
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate?
The IUPAC name of propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate (CID 112724219) is propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate is Cc1cccc(C2(C(=O)OC(C)C)CCC2)c1.
What is the InChIKey of propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate?
The InChIKey is OFXCCTYASMOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)17-14(16)15(8-5-9-15)13-7-4-6-12(3)10-13/h4,6-7,10-11H,5,8-9H2,1-3H3.
What are the key properties of propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate?
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 112724219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).