cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol

C13H17NO2 — CID 106651682

IUPACcyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)C2=CCCCC2)cn1
InChIInChI=1S/C13H17NO2/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h5,7-9,13,15H,2-4,6H2,1H3
InChIKeyRGKRLDMTGOWREZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.62
Rot. Bonds3

About cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol

cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol (PubChem CID 106651682) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
PubChem CID106651682
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)C2=CCCCC2)cn1
InChIInChI=1S/C13H17NO2/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h5,7-9,13,15H,2-4,6H2,1H3
InChIKeyRGKRLDMTGOWREZ-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
[1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 106649305
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
[(1E)-cycloocten-1-yl]-(4-propoxyphenyl)methanol
CID 106650925
(4-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol?
The IUPAC name of cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol (CID 106651682) is cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol?
The canonical SMILES for cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol is COc1ccc(C(O)C2=CCCCC2)cn1.
What is the InChIKey of cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol?
The InChIKey is RGKRLDMTGOWREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h5,7-9,13,15H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol?
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol has a molecular weight of 219.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 106651682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).