[1-(4-chlorophenyl)cyclobutyl] formate

C11H11ClO2 — CID 57259798

IUPAC[1-(4-chlorophenyl)cyclobutyl] formate
SMILESO=COC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C11H11ClO2/c12-10-4-2-9(3-5-10)11(14-8-13)6-1-7-11/h2-5,8H,1,6-7H2
InChIKeyDMRQCFOXNYLICA-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.89
Rot. Bonds3

About [1-(4-chlorophenyl)cyclobutyl] formate

[1-(4-chlorophenyl)cyclobutyl] formate (PubChem CID 57259798) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl] formate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl] formate
PubChem CID57259798
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name[1-(4-chlorophenyl)cyclobutyl] formate
SMILESO=COC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C11H11ClO2/c12-10-4-2-9(3-5-10)11(14-8-13)6-1-7-11/h2-5,8H,1,6-7H2
InChIKeyDMRQCFOXNYLICA-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl] formate?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl] formate (CID 57259798) is [1-(4-chlorophenyl)cyclobutyl] formate.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl] formate?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl] formate is O=COC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl] formate?
The InChIKey is DMRQCFOXNYLICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-10-4-2-9(3-5-10)11(14-8-13)6-1-7-11/h2-5,8H,1,6-7H2.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl] formate?
[1-(4-chlorophenyl)cyclobutyl] formate has a molecular weight of 210.66 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl] formate is sourced from PubChem (CID 57259798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).