[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate

C15H18O4 — CID 11492648

IUPAC[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H](O)[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O4/c1-11(16)19-15-8-7-14(17)13(15)10-18-9-12-5-3-2-4-6-12/h2-8,13-15,17H,9-10H2,1H3/t13-,14+,15-/m1/s1
InChIKeyUREOVLPORDNEAE-QLFBSQMISA-N
MW262.31 g/mol
LogP1.68
Rot. Bonds5

About [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate

[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate (PubChem CID 11492648) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
PubChem CID11492648
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H](O)[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O4/c1-11(16)19-15-8-7-14(17)13(15)10-18-9-12-5-3-2-4-6-12/h2-8,13-15,17H,9-10H2,1H3/t13-,14+,15-/m1/s1
InChIKeyUREOVLPORDNEAE-QLFBSQMISA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxycyclohex-2-en-1-yl] acetate
CID 10945763
[(1R,5S)-4-[(R)-benzenesulfonyl(nitro)methyl]-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
CID 90836427
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
CID 134852857
(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
CID 58451425
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
acetic acid;phenylmethoxymethylbenzene
CID 175214238
[(2S,3S,4S,5R,6S)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 129034510
ethyl (1S,4S,5R,6R)-4,6-diacetyloxy-5-phenylmethoxycyclohex-2-ene-1-carboxylate
CID 102125512
[(3S,6R)-3-acetyloxy-6-phenylmethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 135030712
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] acetate
CID 101210421
[(2R,3R,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl] acetate
CID 15864154

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate (CID 11492648) is [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1C=C[C@H](O)[C@H]1COCc1ccccc1.
What is the InChIKey of [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate?
The InChIKey is UREOVLPORDNEAE-QLFBSQMISA-N. The full InChI is InChI=1S/C15H18O4/c1-11(16)19-15-8-7-14(17)13(15)10-18-9-12-5-3-2-4-6-12/h2-8,13-15,17H,9-10H2,1H3/t13-,14+,15-/m1/s1.
What are the key properties of [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate?
[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate has a molecular weight of 262.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11492648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).