(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol

C14H19NO2 — CID 138964049

IUPAC(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@](C)(O)[C@@H]2C=CCCC2)cn1
InChIInChI=1S/C14H19NO2/c1-14(16,11-6-4-3-5-7-11)12-8-9-13(17-2)15-10-12/h4,6,8-11,16H,3,5,7H2,1-2H3/t11-,14-/m1/s1
InChIKeySTJYDBHXABWVRY-BXUZGUMPSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds3

About (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol

(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 138964049) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol
PubChem CID138964049
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@](C)(O)[C@@H]2C=CCCC2)cn1
InChIInChI=1S/C14H19NO2/c1-14(16,11-6-4-3-5-7-11)12-8-9-13(17-2)15-10-12/h4,6,8-11,16H,3,5,7H2,1-2H3/t11-,14-/m1/s1
InChIKeySTJYDBHXABWVRY-BXUZGUMPSA-N
XLogP2.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol (CID 138964049) is (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol is COc1ccc([C@](C)(O)[C@@H]2C=CCCC2)cn1.
What is the InChIKey of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is STJYDBHXABWVRY-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(16,11-6-4-3-5-7-11)12-8-9-13(17-2)15-10-12/h4,6,8-11,16H,3,5,7H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol?
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-cyclohex-2-en-1-yl]-1-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 138964049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).