[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol

C15H17NO — CID 54432913

IUPAC[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol
SMILESCc1cc(C)cc(Cc2cnccc2CO)c1
InChIInChI=1S/C15H17NO/c1-11-5-12(2)7-13(6-11)8-15-9-16-4-3-14(15)10-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyWITLPQARCQZNHN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds3

About [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol

[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol (PubChem CID 54432913) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol
PubChem CID54432913
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol
SMILESCc1cc(C)cc(Cc2cnccc2CO)c1
InChIInChI=1S/C15H17NO/c1-11-5-12(2)7-13(6-11)8-15-9-16-4-3-14(15)10-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyWITLPQARCQZNHN-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(N,3,5-trimethylanilino)-3-pyridinyl]methanol
CID 81239072
(4-butyl-3-pyridinyl)methanol
CID 173058896
[4-(methylamino)-3-pyridinyl]methanol
CID 105427975
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
[3-(3-methylphenyl)-4-pyridinyl]methanol
CID 130118995
2-[(3,5-dimethylphenyl)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204917
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
(4-iodo-3-pyridinyl)methanol
CID 119092620
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
(4-ethynyl-3-pyridinyl)methanol
CID 74892542
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol?
The IUPAC name of [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol (CID 54432913) is [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol is Cc1cc(C)cc(Cc2cnccc2CO)c1.
What is the InChIKey of [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol?
The InChIKey is WITLPQARCQZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-5-12(2)7-13(6-11)8-15-9-16-4-3-14(15)10-17/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol?
[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol has a molecular weight of 227.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol is sourced from PubChem (CID 54432913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).