(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol

C15H18O — CID 11413243

IUPAC(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1)[C@H]1C=CCCC1
InChIInChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,11-12,14-16H,2,6,10H2/b12-11+/t14-,15+/m0/s1
InChIKeyGICAOJRZETXZAR-AMXOMPAFSA-N
MW214.31 g/mol
LogP3.42
Rot. Bonds3

About (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol

(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol (PubChem CID 11413243) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
PubChem CID11413243
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
SMILESO[C@H](/C=C/c1ccccc1)[C@H]1C=CCCC1
InChIInChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,11-12,14-16H,2,6,10H2/b12-11+/t14-,15+/m0/s1
InChIKeyGICAOJRZETXZAR-AMXOMPAFSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
3-phenyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-ol
CID 175283380
(E,1S)-1-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3-phenylprop-2-en-1-ol
CID 166441486
3-phenylprop-2-ene-1,1-diol
CID 54432533
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
(R)-[(1S)-cyclohex-2-en-1-yl]-thiophen-2-ylmethanol
CID 24809226
[(E)-2-[(1R)-cyclohex-2-en-1-yl]prop-1-enyl]benzene
CID 140946017
[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate
CID 135002057
(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
CID 177462133

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol (CID 11413243) is (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol is O[C@H](/C=C/c1ccccc1)[C@H]1C=CCCC1.
What is the InChIKey of (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol?
The InChIKey is GICAOJRZETXZAR-AMXOMPAFSA-N. The full InChI is InChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,11-12,14-16H,2,6,10H2/b12-11+/t14-,15+/m0/s1.
What are the key properties of (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol?
(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 11413243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).