(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol

C26H32O2 — CID 71817520

IUPAC(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/C2CCCC2)C1
InChIInChI=1S/C26H32O2/c27-25(21-13-3-1-4-14-21)24-18-23(17-9-12-20-10-7-8-11-20)26(28-19-24)22-15-5-2-6-16-22/h1-6,9,12-16,20,23-27H,7-8,10-11,17-19H2/b12-9+/t23-,24+,25-,26+/m0/s1
InChIKeyUOCMWEJZGLLTJR-GVXNPOLUSA-N
MW376.54 g/mol
LogP6.25
Rot. Bonds6

About (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol

(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol (PubChem CID 71817520) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol
PubChem CID71817520
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/C2CCCC2)C1
InChIInChI=1S/C26H32O2/c27-25(21-13-3-1-4-14-21)24-18-23(17-9-12-20-10-7-8-11-20)26(28-19-24)22-15-5-2-6-16-22/h1-6,9,12-16,20,23-27H,7-8,10-11,17-19H2/b12-9+/t23-,24+,25-,26+/m0/s1
InChIKeyUOCMWEJZGLLTJR-GVXNPOLUSA-N
XLogP6.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 10125816
(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((S)-1-(benzyloxy)propan-2-yl)-7a-methyl-octahydroinden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
CID 23656628
2-Phenyloxan-4-ol
CID 10329884
(2S,3R,4R,5S,6R)-2-Biphenyl-3-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 9839914
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(3-phenylpropyl)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 9863600
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-phenethylphenyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 9906141
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-methyl-benzyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
CID 10236901
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(2-m-tolyl-ethyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
CID 44561635
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
CID 10863701
(2S,4S,6R)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
CID 71546304
(2S,4S,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-ol
CID 71546305
(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-ol
CID 71546307

Frequently Asked Questions

What is the IUPAC name of (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol?
The IUPAC name of (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol (CID 71817520) is (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol?
The canonical SMILES for (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol is O[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/C2CCCC2)C1.
What is the InChIKey of (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol?
The InChIKey is UOCMWEJZGLLTJR-GVXNPOLUSA-N. The full InChI is InChI=1S/C26H32O2/c27-25(21-13-3-1-4-14-21)24-18-23(17-9-12-20-10-7-8-11-20)26(28-19-24)22-15-5-2-6-16-22/h1-6,9,12-16,20,23-27H,7-8,10-11,17-19H2/b12-9+/t23-,24+,25-,26+/m0/s1.
What are the key properties of (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol?
(R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol has a molecular weight of 376.54 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3R,5S,6S)-5-[(E)-3-cyclopentylprop-2-enyl]-6-phenyloxan-3-yl]-phenylmethanol is sourced from PubChem (CID 71817520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).