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

C20H22O3 — CID 22899845

IUPAC[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)CCCC2)cc1
InChIInChI=1S/C20H22O3/c1-15(21)23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXDESRUPEZJRJPK-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.48
Rot. Bonds4

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

[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate (PubChem CID 22899845) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
PubChem CID22899845
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)CCCC2)cc1
InChIInChI=1S/C20H22O3/c1-15(21)23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyXDESRUPEZJRJPK-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
[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-(3-oxobutanoyloxy)phenyl]cycloheptyl]phenyl] 3-oxobutanoate
CID 139704599
[4-[1-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 58760893
[4-[1-(4-methoxyphenyl)-3,3,4,5-tetramethylcyclohexyl]phenyl] acetate
CID 22899840
[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)cyclopentyl]phenyl] acetate?
The IUPAC name of [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate (CID 22899845) is [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate?
The canonical SMILES for [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate is COc1ccc(C2(c3ccc(OC(C)=O)cc3)CCCC2)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate?
The InChIKey is XDESRUPEZJRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-15(21)23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of [4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate?
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate has a molecular weight of 310.39 g/mol, XLogP of 4.48, 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)cyclopentyl]phenyl] acetate is sourced from PubChem (CID 22899845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).