(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol

C19H21NO — CID 125488292

IUPAC(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol
SMILESO[C@H]([C@H]1CC=CCC1)[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H21NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-5,7-10,13-14,16,18-19,21H,6,11-12H2/t16-,18+,19+/m0/s1
InChIKeyHMRXYOAZMUVNLD-QXAKKESOSA-N
MW279.38 g/mol
LogP3.93
Rot. Bonds4

About (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol

(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol (PubChem CID 125488292) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol
PubChem CID125488292
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol
SMILESO[C@H]([C@H]1CC=CCC1)[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H21NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-5,7-10,13-14,16,18-19,21H,6,11-12H2/t16-,18+,19+/m0/s1
InChIKeyHMRXYOAZMUVNLD-QXAKKESOSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.93
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

(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol
CID 125488579
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
6-[1-(6-amino-2-pyridinyl)-2-phenyl-2-pyridin-2-ylethyl]pyridin-2-amine
CID 11632046
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
1-cyclohex-3-en-1-ylethylselanylbenzene
CID 12544075
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol?
The IUPAC name of (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol (CID 125488292) is (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol.
What is the SMILES notation for (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol?
The canonical SMILES for (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol is O[C@H]([C@H]1CC=CCC1)[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol?
The InChIKey is HMRXYOAZMUVNLD-QXAKKESOSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1-5,7-10,13-14,16,18-19,21H,6,11-12H2/t16-,18+,19+/m0/s1.
What are the key properties of (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol?
(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol has a molecular weight of 279.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol is sourced from PubChem (CID 125488292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).