cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one

C20H20O2 — CID 135054875

IUPACcis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one
SMILESC=C[C@]1(OCc2ccccc2)C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C20H20O2/c1-2-20(22-15-16-9-5-3-6-10-16)14-18(13-19(20)21)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2/t18-,20+/m1/s1
InChIKeyLELRWCPRPPZVCG-QUCCMNQESA-N
MW292.38 g/mol
LogP4.27
Rot. Bonds5

About cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one

cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one (PubChem CID 135054875) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one
PubChem CID135054875
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Namecis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one
SMILESC=C[C@]1(OCc2ccccc2)C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C20H20O2/c1-2-20(22-15-16-9-5-3-6-10-16)14-18(13-19(20)21)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2/t18-,20+/m1/s1
InChIKeyLELRWCPRPPZVCG-QUCCMNQESA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-Diphenyl-3-(3-phenylpropoxy)octan-4-one
CID 76328175
2-Methoxy-2-phenylcyclohexan-1-one
CID 186828
[(2S,3S)-3-fluoro-2-phenyloxolan-2-yl]-phenylmethanone
CID 176438645
cis-2-Acetyl-2,3-diphenyloxirane
CID 296677
1-Oxaspiro[4.5]decan-4-one, 2-phenyl-
CID 2833962
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
Ethanone, 1-(2-methyl-3,3-diphenyloxiranyl)-
CID 11807148
2,2-Dimethyl-5,5-diphenyltetrahydrofuran-3-one
CID 12282969
Benzyl 2-cyclohexyl-2-oxoacetate
CID 16726585
Benzyl 2-oxo-4-phenylbutanoate
CID 18370473
(-)-(R)-3-(4-(Benzyloxybutyl))-4,4-dimethylcyclohexanone
CID 57336725
2,2-Dimethyl-4,5-diphenyl-2,3-dihydrofuran-3-one
CID 102421896

Frequently Asked Questions

What is the IUPAC name of cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one?
The IUPAC name of cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one (CID 135054875) is cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one.
What is the SMILES notation for cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one?
The canonical SMILES for cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one is C=C[C@]1(OCc2ccccc2)C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one?
The InChIKey is LELRWCPRPPZVCG-QUCCMNQESA-N. The full InChI is InChI=1S/C20H20O2/c1-2-20(22-15-16-9-5-3-6-10-16)14-18(13-19(20)21)17-11-7-4-8-12-17/h2-12,18H,1,13-15H2/t18-,20+/m1/s1.
What are the key properties of cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one?
cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,4S)-2-ethenyl-4-phenyl-2-phenylmethoxycyclopentan-1-one is sourced from PubChem (CID 135054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).