2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol

C15H17NO — CID 104735632

IUPAC2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
SMILESCc1cccc(C(C)(O)Cc2cccnc2)c1
InChIInChI=1S/C15H17NO/c1-12-5-3-7-14(9-12)15(2,17)10-13-6-4-8-16-11-13/h3-9,11,17H,10H2,1-2H3
InChIKeyYHVKLJYGUQXTSM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol

2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol (PubChem CID 104735632) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
PubChem CID104735632
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
SMILESCc1cccc(C(C)(O)Cc2cccnc2)c1
InChIInChI=1S/C15H17NO/c1-12-5-3-7-14(9-12)15(2,17)10-13-6-4-8-16-11-13/h3-9,11,17H,10H2,1-2H3
InChIKeyYHVKLJYGUQXTSM-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
1,1,2-tripyridin-3-ylethanol
CID 57425683
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 13120935
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol?
The IUPAC name of 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol (CID 104735632) is 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol is Cc1cccc(C(C)(O)Cc2cccnc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol?
The InChIKey is YHVKLJYGUQXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-5-3-7-14(9-12)15(2,17)10-13-6-4-8-16-11-13/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol?
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 104735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).