1-quinolin-2-ylpropan-2-ol

C12H13NO — CID 19432910

IUPAC1-quinolin-2-ylpropan-2-ol
SMILESCC(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H13NO/c1-9(14)8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7,9,14H,8H2,1H3
InChIKeyDKGXPEAAAIRCLU-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.16
Rot. Bonds2

About 1-quinolin-2-ylpropan-2-ol

1-quinolin-2-ylpropan-2-ol (PubChem CID 19432910) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-quinolin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-quinolin-2-ylpropan-2-ol
PubChem CID19432910
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-quinolin-2-ylpropan-2-ol
SMILESCC(O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H13NO/c1-9(14)8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7,9,14H,8H2,1H3
InChIKeyDKGXPEAAAIRCLU-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylpropan-2-ol?
The IUPAC name of 1-quinolin-2-ylpropan-2-ol (CID 19432910) is 1-quinolin-2-ylpropan-2-ol.
What is the SMILES notation for 1-quinolin-2-ylpropan-2-ol?
The canonical SMILES for 1-quinolin-2-ylpropan-2-ol is CC(O)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-ylpropan-2-ol?
The InChIKey is DKGXPEAAAIRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(14)8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 1-quinolin-2-ylpropan-2-ol?
1-quinolin-2-ylpropan-2-ol has a molecular weight of 187.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylpropan-2-ol is sourced from PubChem (CID 19432910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).