(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol

C15H20O — CID 101047388

IUPAC(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
SMILESO[C@H](CCc1ccccc1)[C@@H]1C=CCCC1
InChIInChI=1S/C15H20O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,14-16H,2,6,10-12H2/t14-,15-/m1/s1
InChIKeyCVYPZHIOARONEW-HUUCEWRRSA-N
MW216.32 g/mol
LogP3.34
Rot. Bonds4

About (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol

(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol (PubChem CID 101047388) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
PubChem CID101047388
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
SMILESO[C@H](CCc1ccccc1)[C@@H]1C=CCCC1
InChIInChI=1S/C15H20O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,14-16H,2,6,10-12H2/t14-,15-/m1/s1
InChIKeyCVYPZHIOARONEW-HUUCEWRRSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.34
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

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol
CID 101185630
(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
CID 11413243
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
CID 101184919
tert-butyl N-[(2S)-1-cyclohex-2-en-1-yl-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 102575795
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
CID 101070884
(3R)-3-(2-phenylethyl)cycloheptene
CID 102587437
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol (CID 101047388) is (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol is O[C@H](CCc1ccccc1)[C@@H]1C=CCCC1.
What is the InChIKey of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol?
The InChIKey is CVYPZHIOARONEW-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7-9,14-16H,2,6,10-12H2/t14-,15-/m1/s1.
What are the key properties of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol?
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 101047388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).