1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol

C14H20BrNO — CID 90380506

IUPAC1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(C)(O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrNO/c1-10-3-5-11(6-4-10)14(2,17)13-8-7-12(15)9-16-13/h7-11,17H,3-6H2,1-2H3
InChIKeyGCZPASVDWIGNCQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol

1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 90380506) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
PubChem CID90380506
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(C)(O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrNO/c1-10-3-5-11(6-4-10)14(2,17)13-8-7-12(15)9-16-13/h7-11,17H,3-6H2,1-2H3
InChIKeyGCZPASVDWIGNCQ-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol (CID 90380506) is 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol is CC1CCC(C(C)(O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is GCZPASVDWIGNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-3-5-11(6-4-10)14(2,17)13-8-7-12(15)9-16-13/h7-11,17H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol?
1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 298.22 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 90380506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).