(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one

C15H18O3 — CID 11615719

IUPAC(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
SMILESC=C[C@]1(OCc2ccc(OC)cc2)CCCC1=O
InChIInChI=1S/C15H18O3/c1-3-15(10-4-5-14(15)16)18-11-12-6-8-13(17-2)9-7-12/h3,6-9H,1,4-5,10-11H2,2H3/t15-/m0/s1
InChIKeyAPVMVIFZXFURNY-HNNXBMFYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one

(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one (PubChem CID 11615719) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
PubChem CID11615719
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
SMILESC=C[C@]1(OCc2ccc(OC)cc2)CCCC1=O
InChIInChI=1S/C15H18O3/c1-3-15(10-4-5-14(15)16)18-11-12-6-8-13(17-2)9-7-12/h3,6-9H,1,4-5,10-11H2,2H3/t15-/m0/s1
InChIKeyAPVMVIFZXFURNY-HNNXBMFYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-2-pent-3-ynoxycyclopentan-1-one
CID 102184312
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452
(5S,6S)-6-ethyl-6-[(4-methoxyphenyl)methoxy]-5-methylcyclohex-3-en-1-one
CID 71698025
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 114773651
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
(3R,4S,5R)-3-ethenyl-4-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-3-methyloxolan-2-one
CID 134352834
(2R)-2-but-3-enyl-2-(phenylmethoxymethyl)cyclohexan-1-one
CID 102031690
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
2-[(4-methoxyphenyl)methoxy]cyclohexan-1-one
CID 11149013
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one?
The IUPAC name of (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one (CID 11615719) is (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one?
The canonical SMILES for (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one is C=C[C@]1(OCc2ccc(OC)cc2)CCCC1=O.
What is the InChIKey of (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one?
The InChIKey is APVMVIFZXFURNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-15(10-4-5-14(15)16)18-11-12-6-8-13(17-2)9-7-12/h3,6-9H,1,4-5,10-11H2,2H3/t15-/m0/s1.
What are the key properties of (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one?
(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one is sourced from PubChem (CID 11615719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).