[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate

C15H18O3 — CID 134852857

IUPAC[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC=C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O3/c1-12(16)18-15-9-5-8-14(15)11-17-10-13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyJHPLIEBDDAOEJT-LSDHHAIUSA-N
MW246.31 g/mol
LogP2.71
Rot. Bonds5

About [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate

[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate (PubChem CID 134852857) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
PubChem CID134852857
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC=C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O3/c1-12(16)18-15-9-5-8-14(15)11-17-10-13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyJHPLIEBDDAOEJT-LSDHHAIUSA-N
XLogP2.71
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 ≤ 52.71
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

[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
CID 10844304
[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
CID 11492648
[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 58326011
1-O-benzyl 2-O-methyl (2S,4S,5R)-4-acetyloxy-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 14629884
[(1R,2S,3R,4S,5R,6S)-5-acetyloxy-7,8-dimethyl-3,4-bis(phenylmethoxy)-7,8-diazabicyclo[4.2.2]dec-9-en-2-yl] acetate
CID 15527452
[(2S,3S,4S,5R,6S)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 129034510
acetic acid;phenylmethoxymethylbenzene
CID 175214238
[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102331110
[(3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl] acetate
CID 11092016
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate?
The IUPAC name of [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate (CID 134852857) is [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate?
The canonical SMILES for [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate is CC(=O)O[C@@H]1CC=C[C@H]1COCc1ccccc1.
What is the InChIKey of [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate?
The InChIKey is JHPLIEBDDAOEJT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18O3/c1-12(16)18-15-9-5-8-14(15)11-17-10-13-6-3-2-4-7-13/h2-8,14-15H,9-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate?
[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate has a molecular weight of 246.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 134852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).