1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol

C17H25NO — CID 103277576

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2CC(C)=CC(C)C2)nc1
InChIInChI=1S/C17H25NO/c1-4-14-5-6-16(18-11-14)10-17(19)15-8-12(2)7-13(3)9-15/h5-7,11-12,15,17,19H,4,8-10H2,1-3H3
InChIKeyXHUNWJBPZQIGLQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 103277576) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID103277576
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2CC(C)=CC(C)C2)nc1
InChIInChI=1S/C17H25NO/c1-4-14-5-6-16(18-11-14)10-17(19)15-8-12(2)7-13(3)9-15/h5-7,11-12,15,17,19H,4,8-10H2,1-3H3
InChIKeyXHUNWJBPZQIGLQ-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 103277576) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)C2CC(C)=CC(C)C2)nc1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is XHUNWJBPZQIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-14-5-6-16(18-11-14)10-17(19)15-8-12(2)7-13(3)9-15/h5-7,11-12,15,17,19H,4,8-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 259.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 103277576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).