(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol

C17H22O3 — CID 72702193

IUPAC(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol
SMILESC=C=C[C@@H](C[C@H]1OCCC[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C17H22O3/c1-2-7-15(12-17-16(18)10-6-11-19-17)20-13-14-8-4-3-5-9-14/h3-5,7-9,15-18H,1,6,10-13H2/t15-,16-,17+/m0/s1
InChIKeyDCKVQOYVOWEYLP-YESZJQIVSA-N
MW274.36 g/mol
LogP2.84
Rot. Bonds6

About (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol

(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol (PubChem CID 72702193) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol
PubChem CID72702193
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol
SMILESC=C=C[C@@H](C[C@H]1OCCC[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C17H22O3/c1-2-7-15(12-17-16(18)10-6-11-19-17)20-13-14-8-4-3-5-9-14/h3-5,7-9,15-18H,1,6,10-13H2/t15-,16-,17+/m0/s1
InChIKeyDCKVQOYVOWEYLP-YESZJQIVSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-penta-3,4-dien-2-yl]oxymethylbenzene
CID 102468732
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
(2S,3R)-2-[(4R,5R)-4-methoxy-5-phenylmethoxynon-1-en-2-yl]oxan-3-ol
CID 67673856
cyclohexyl(phenylmethoxy)methanol
CID 54334195
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane
CID 102498102
3-(oxolan-2-yl)-1-phenylmethoxybut-3-en-2-one
CID 10977746
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol?
The IUPAC name of (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol (CID 72702193) is (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol?
The canonical SMILES for (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol is C=C=C[C@@H](C[C@H]1OCCC[C@@H]1O)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol?
The InChIKey is DCKVQOYVOWEYLP-YESZJQIVSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-7-15(12-17-16(18)10-6-11-19-17)20-13-14-8-4-3-5-9-14/h3-5,7-9,15-18H,1,6,10-13H2/t15-,16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol?
(2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol has a molecular weight of 274.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(2R)-2-phenylmethoxypenta-3,4-dienyl]oxan-3-ol is sourced from PubChem (CID 72702193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).