1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene

C20H24O3 — CID 140897916

IUPAC1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
SMILESCOCOc1ccc(C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C20H24O3/c1-21-15-23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3
InChIKeyWBSFWBJKPHZGPH-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.54
Rot. Bonds6

About 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene

1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene (PubChem CID 140897916) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
PubChem CID140897916
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
SMILESCOCOc1ccc(C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C20H24O3/c1-21-15-23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3
InChIKeyWBSFWBJKPHZGPH-UHFFFAOYSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
1,4-bis(methoxymethoxy)benzene
CID 542643
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
CID 146482116
[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
CID 58669309
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)cyclopentyl]benzene
CID 23117522
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene?
The IUPAC name of 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene (CID 140897916) is 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene is COCOc1ccc(C2(c3ccc(OC)cc3)CCCC2)cc1.
What is the InChIKey of 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene?
The InChIKey is WBSFWBJKPHZGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-21-15-23-19-11-7-17(8-12-19)20(13-3-4-14-20)16-5-9-18(22-2)10-6-16/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene?
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene has a molecular weight of 312.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene is sourced from PubChem (CID 140897916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).