ethane;2-(3-methyl-4-pyridinyl)propan-2-ol

C11H19NO — CID 145265708

IUPACethane;2-(3-methyl-4-pyridinyl)propan-2-ol
SMILESCC.Cc1cnccc1C(C)(C)O
InChIInChI=1S/C9H13NO.C2H6/c1-7-6-10-5-4-8(7)9(2,3)11;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyGAUMHRBQXIGCFG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.64
Rot. Bonds1

About ethane;2-(3-methyl-4-pyridinyl)propan-2-ol

ethane;2-(3-methyl-4-pyridinyl)propan-2-ol (PubChem CID 145265708) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;2-(3-methyl-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(3-methyl-4-pyridinyl)propan-2-ol
PubChem CID145265708
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;2-(3-methyl-4-pyridinyl)propan-2-ol
SMILESCC.Cc1cnccc1C(C)(C)O
InChIInChI=1S/C9H13NO.C2H6/c1-7-6-10-5-4-8(7)9(2,3)11;1-2/h4-6,11H,1-3H3;1-2H3
InChIKeyGAUMHRBQXIGCFG-UHFFFAOYSA-N
XLogP2.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methyl-4-pyridinyl)propan-2-ol?
The IUPAC name of ethane;2-(3-methyl-4-pyridinyl)propan-2-ol (CID 145265708) is ethane;2-(3-methyl-4-pyridinyl)propan-2-ol.
What is the SMILES notation for ethane;2-(3-methyl-4-pyridinyl)propan-2-ol?
The canonical SMILES for ethane;2-(3-methyl-4-pyridinyl)propan-2-ol is CC.Cc1cnccc1C(C)(C)O.
What is the InChIKey of ethane;2-(3-methyl-4-pyridinyl)propan-2-ol?
The InChIKey is GAUMHRBQXIGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-7-6-10-5-4-8(7)9(2,3)11;1-2/h4-6,11H,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methyl-4-pyridinyl)propan-2-ol?
ethane;2-(3-methyl-4-pyridinyl)propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methyl-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 145265708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).