2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol

C19H25NO — CID 60925074

IUPAC2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1cnc2ccccc2c1
InChIInChI=1S/C19H25NO/c1-18(2,3)17-10-6-7-11-19(17,21)15-12-14-8-4-5-9-16(14)20-13-15/h4-5,8-9,12-13,17,21H,6-7,10-11H2,1-3H3
InChIKeyCFSKUQLDHKZIAD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.66
Rot. Bonds1

About 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol

2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol (PubChem CID 60925074) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
PubChem CID60925074
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1cnc2ccccc2c1
InChIInChI=1S/C19H25NO/c1-18(2,3)17-10-6-7-11-19(17,21)15-12-14-8-4-5-9-16(14)20-13-15/h4-5,8-9,12-13,17,21H,6-7,10-11H2,1-3H3
InChIKeyCFSKUQLDHKZIAD-UHFFFAOYSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol (CID 60925074) is 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)c1cnc2ccccc2c1.
What is the InChIKey of 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol?
The InChIKey is CFSKUQLDHKZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-18(2,3)17-10-6-7-11-19(17,21)15-12-14-8-4-5-9-16(14)20-13-15/h4-5,8-9,12-13,17,21H,6-7,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol?
2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 60925074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).