ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol

C17H23NO — CID 144927641

IUPACethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
SMILESCC.Cc1ccc(CC(C)(O)c2ccccc2)nc1
InChIInChI=1S/C15H17NO.C2H6/c1-12-8-9-14(16-11-12)10-15(2,17)13-6-4-3-5-7-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3
InChIKeyYTWKYKRTUZXLQT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.87
Rot. Bonds3

About ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol

ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol (PubChem CID 144927641) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
PubChem CID144927641
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Nameethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
SMILESCC.Cc1ccc(CC(C)(O)c2ccccc2)nc1
InChIInChI=1S/C15H17NO.C2H6/c1-12-8-9-14(16-11-12)10-15(2,17)13-6-4-3-5-7-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3
InChIKeyYTWKYKRTUZXLQT-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol?
The IUPAC name of ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol (CID 144927641) is ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol.
What is the SMILES notation for ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol?
The canonical SMILES for ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol is CC.Cc1ccc(CC(C)(O)c2ccccc2)nc1.
What is the InChIKey of ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol?
The InChIKey is YTWKYKRTUZXLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C2H6/c1-12-8-9-14(16-11-12)10-15(2,17)13-6-4-3-5-7-13;1-2/h3-9,11,17H,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol?
ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol is sourced from PubChem (CID 144927641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).