1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone

C23H26O2 — CID 15396403

IUPAC1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone
SMILESC=C(C)[C@H]1C[C@H](OCc2ccccc2)[C@](C(C)=O)(c2ccccc2)C1
InChIInChI=1S/C23H26O2/c1-17(2)20-14-22(25-16-19-10-6-4-7-11-19)23(15-20,18(3)24)21-12-8-5-9-13-21/h4-13,20,22H,1,14-16H2,2-3H3/t20-,22-,23+/m0/s1
InChIKeySPSBBWHWCLUKKE-ACIOBRDBSA-N
MW334.46 g/mol
LogP5.08
Rot. Bonds6

About 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone

1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone (PubChem CID 15396403) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone
PubChem CID15396403
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone
SMILESC=C(C)[C@H]1C[C@H](OCc2ccccc2)[C@](C(C)=O)(c2ccccc2)C1
InChIInChI=1S/C23H26O2/c1-17(2)20-14-22(25-16-19-10-6-4-7-11-19)23(15-20,18(3)24)21-12-8-5-9-13-21/h4-13,20,22H,1,14-16H2,2-3H3/t20-,22-,23+/m0/s1
InChIKeySPSBBWHWCLUKKE-ACIOBRDBSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.08
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

3,5-Dimethyl-2,6-diphenyloxan-4-one
CID 326146
9,9-Dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione
CID 2940482
Cis-2,6-Diphenyltetrahydropyrone
CID 388786
4-Methoxy-1,4-diphenylbutan-2-one
CID 24881475
1-Propanone, 3-methoxy-1,3-diphenyl-
CID 10037292
Cyclohexanone, 2-(methoxyphenylmethyl)-
CID 10856950
Trans-2,6-Diphenyltetrahydropyrone
CID 388785
7-(Benzyloxy)spiro[3.5]nonan-2-one
CID 165996786
2,6-Diphenyltetrahydro-4H-pyran-4-one
CID 500287
(2R,3R,6R)-3,6-dimethyl-2-phenyloxan-4-one
CID 9837133
3,3-Difluoro-1-phenyl-4-phenylmethoxybutan-2-one
CID 132504044
cis-2-Acetyl-2,3-diphenyloxirane
CID 296677

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone (CID 15396403) is 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone is C=C(C)[C@H]1C[C@H](OCc2ccccc2)[C@](C(C)=O)(c2ccccc2)C1.
What is the InChIKey of 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The InChIKey is SPSBBWHWCLUKKE-ACIOBRDBSA-N. The full InChI is InChI=1S/C23H26O2/c1-17(2)20-14-22(25-16-19-10-6-4-7-11-19)23(15-20,18(3)24)21-12-8-5-9-13-21/h4-13,20,22H,1,14-16H2,2-3H3/t20-,22-,23+/m0/s1.
What are the key properties of 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4R)-1-phenyl-2-phenylmethoxy-4-prop-1-en-2-ylcyclopentyl]ethanone is sourced from PubChem (CID 15396403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).