methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate

C16H22O2 — CID 116929692

IUPACmethyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
SMILESCCCc1ccc(CC2(C(=O)OC)CCC2)cc1
InChIInChI=1S/C16H22O2/c1-3-5-13-6-8-14(9-7-13)12-16(10-4-11-16)15(17)18-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyKSQVHXYZTPCJGR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.52
Rot. Bonds5

About methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate

methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate (PubChem CID 116929692) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
PubChem CID116929692
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namemethyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
SMILESCCCc1ccc(CC2(C(=O)OC)CCC2)cc1
InChIInChI=1S/C16H22O2/c1-3-5-13-6-8-14(9-7-13)12-16(10-4-11-16)15(17)18-2/h6-9H,3-5,10-12H2,1-2H3
InChIKeyKSQVHXYZTPCJGR-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 1-[(4-propylphenyl)methyl]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-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929728
methyl 1-[(4-butan-2-ylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929693
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 71158967
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
methyl 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116997109
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate
CID 116842819
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
methyl 1-[[2-(4-bromophenyl)ethylamino]methyl]cyclopropane-1-carboxylate
CID 115247650
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate (CID 116929692) is methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate is CCCc1ccc(CC2(C(=O)OC)CCC2)cc1.
What is the InChIKey of methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate?
The InChIKey is KSQVHXYZTPCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-5-13-6-8-14(9-7-13)12-16(10-4-11-16)15(17)18-2/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate?
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate has a molecular weight of 246.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116929692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).