[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate

C19H20O3 — CID 90310480

IUPAC[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)CCC2)cc1
InChIInChI=1S/C19H20O3/c1-14(20)22-18-10-6-16(7-11-18)19(12-3-13-19)15-4-8-17(21-2)9-5-15/h4-11H,3,12-13H2,1-2H3
InChIKeyFRAZMIWFXLWEBT-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.09
Rot. Bonds4

About [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate

[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate (PubChem CID 90310480) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
PubChem CID90310480
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)CCC2)cc1
InChIInChI=1S/C19H20O3/c1-14(20)22-18-10-6-16(7-11-18)19(12-3-13-19)15-4-8-17(21-2)9-5-15/h4-11H,3,12-13H2,1-2H3
InChIKeyFRAZMIWFXLWEBT-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate 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

[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-[4-(4-acetyloxybenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-acetyloxybenzoate
CID 142729677
[4-[1-[4-[4-[(E)-1-(4-methoxyphenyl)-2-phenylethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20709036
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] acetate;[4-[2-(4-methoxyphenyl)pentadecan-2-yl]phenyl] acetate
CID 91405269
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
CID 149336494
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107
[4-[1-(4-methoxyphenyl)-3,3,4,5-tetramethylcyclohexyl]phenyl] acetate
CID 22899840
[4-[5-(4-methoxyphenyl)-2,3-dimethyl-4-pentacyclo[4.4.0.02,5.03,8.04,7]decanyl]phenyl] acetate
CID 23403218
[4-[1-[4-(3-oxobutanoyloxy)phenyl]cycloheptyl]phenyl] 3-oxobutanoate
CID 139704599
[4-[14-(4-methoxyphenyl)heptacosan-14-yl]phenyl] 2-[4-[1-(4-acetyloxyphenyl)cyclohexyl]phenoxy]-2-methylpropanoate
CID 23405274

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate?
The IUPAC name of [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate (CID 90310480) is [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate?
The canonical SMILES for [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate is COc1ccc(C2(c3ccc(OC(C)=O)cc3)CCC2)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate?
The InChIKey is FRAZMIWFXLWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(20)22-18-10-6-16(7-11-18)19(12-3-13-19)15-4-8-17(21-2)9-5-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate?
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate has a molecular weight of 296.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate is sourced from PubChem (CID 90310480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).