3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol

C16H23NO — CID 79738881

IUPAC3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCc1ccc(CC2=CC(O)CC(C)(C)C2)nc1
InChIInChI=1S/C16H23NO/c1-4-12-5-6-14(17-11-12)7-13-8-15(18)10-16(2,3)9-13/h5-6,8,11,15,18H,4,7,9-10H2,1-3H3
InChIKeyCMIDWUGAOLVPLV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds3

About 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol

3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 79738881) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID79738881
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCc1ccc(CC2=CC(O)CC(C)(C)C2)nc1
InChIInChI=1S/C16H23NO/c1-4-12-5-6-14(17-11-12)7-13-8-15(18)10-16(2,3)9-13/h5-6,8,11,15,18H,4,7,9-10H2,1-3H3
InChIKeyCMIDWUGAOLVPLV-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
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

Abiraterone
CID 132971
3-Pyridinepropanol
CID 17861
Metyrapol
CID 161210
5-Ethyl-2-pyridineethanol
CID 78894
Phenyl(pyridin-3-yl)methanol
CID 234839
Pyripropanol
CID 72922
4-Pyridinepropanol
CID 72923
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
alpha-Phenyl-4-pyridinemethanol
CID 98305
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (CID 79738881) is 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is CCc1ccc(CC2=CC(O)CC(C)(C)C2)nc1.
What is the InChIKey of 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is CMIDWUGAOLVPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12-5-6-14(17-11-12)7-13-8-15(18)10-16(2,3)9-13/h5-6,8,11,15,18H,4,7,9-10H2,1-3H3.
What are the key properties of 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-pyridinyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 79738881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).