3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol

C12H15NO2 — CID 10822113

IUPAC3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
SMILESCOc1ccc(C2=CC(O)CCC2)cn1
InChIInChI=1S/C12H15NO2/c1-15-12-6-5-10(8-13-12)9-3-2-4-11(14)7-9/h5-8,11,14H,2-4H2,1H3
InChIKeyCIALZAZTNHYEHT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol

3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol (PubChem CID 10822113) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
PubChem CID10822113
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
SMILESCOc1ccc(C2=CC(O)CCC2)cn1
InChIInChI=1S/C12H15NO2/c1-15-12-6-5-10(8-13-12)9-3-2-4-11(14)7-9/h5-8,11,14H,2-4H2,1H3
InChIKeyCIALZAZTNHYEHT-UHFFFAOYSA-N
XLogP2.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol (CID 10822113) is 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol is COc1ccc(C2=CC(O)CCC2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol?
The InChIKey is CIALZAZTNHYEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12-6-5-10(8-13-12)9-3-2-4-11(14)7-9/h5-8,11,14H,2-4H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol?
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol has a molecular weight of 205.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10822113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).