(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol

C15H20O3 — CID 135038520

IUPAC(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1CC=C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H20O3/c16-9-15(17)14-8-4-7-13(14)11-18-10-12-5-2-1-3-6-12/h1-7,13-17H,8-11H2/t13-,14+,15-/m0/s1
InChIKeyLIMGWAUPZTVDPH-ZNMIVQPWSA-N
MW248.32 g/mol
LogP1.75
Rot. Bonds6

About (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol

(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol (PubChem CID 135038520) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
PubChem CID135038520
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1CC=C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H20O3/c16-9-15(17)14-8-4-7-13(14)11-18-10-12-5-2-1-3-6-12/h1-7,13-17H,8-11H2/t13-,14+,15-/m0/s1
InChIKeyLIMGWAUPZTVDPH-ZNMIVQPWSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl] acetate
CID 134852857
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
CID 44541660
(1R)-1-[(5S)-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol
CID 10800738
(1S)-1-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]ethane-1,2-diol
CID 101486837
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethane-1,2-diol
CID 25170284
(1R,2R)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]cyclopent-3-ene-1-carbonitrile
CID 11514272
CID 172760983
CID 172760983
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
1-nitro-3-[(1S,6S)-6-(phenylmethoxymethyl)cyclohex-2-en-1-yl]propan-2-ol
CID 11822894
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol (CID 135038520) is (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol is OC[C@H](O)[C@@H]1CC=C[C@H]1COCc1ccccc1.
What is the InChIKey of (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
The InChIKey is LIMGWAUPZTVDPH-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H20O3/c16-9-15(17)14-8-4-7-13(14)11-18-10-12-5-2-1-3-6-12/h1-7,13-17H,8-11H2/t13-,14+,15-/m0/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol?
(1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol has a molecular weight of 248.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-yl]ethane-1,2-diol is sourced from PubChem (CID 135038520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).