(S)-(2-methyl-4-pyridinyl)-phenylmethanol

C13H13NO — CID 122230271

IUPAC(S)-(2-methyl-4-pyridinyl)-phenylmethanol
SMILESCc1cc([C@@H](O)c2ccccc2)ccn1
InChIInChI=1S/C13H13NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9,13,15H,1H3/t13-/m0/s1
InChIKeyWWXFASNYUOYLET-ZDUSSCGKSA-N
MW199.25 g/mol
LogP2.47
Rot. Bonds2

About (S)-(2-methyl-4-pyridinyl)-phenylmethanol

(S)-(2-methyl-4-pyridinyl)-phenylmethanol (PubChem CID 122230271) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (S)-(2-methyl-4-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(2-methyl-4-pyridinyl)-phenylmethanol
PubChem CID122230271
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(S)-(2-methyl-4-pyridinyl)-phenylmethanol
SMILESCc1cc([C@@H](O)c2ccccc2)ccn1
InChIInChI=1S/C13H13NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9,13,15H,1H3/t13-/m0/s1
InChIKeyWWXFASNYUOYLET-ZDUSSCGKSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
(3-fluorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756088
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094
(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106756171
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
1H-indol-3-yl-(2-methyl-4-pyridinyl)methanol
CID 112742788
(1R)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-ol
CID 67015665
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methyl-4-pyridinyl)-phenylmethanol?
The IUPAC name of (S)-(2-methyl-4-pyridinyl)-phenylmethanol (CID 122230271) is (S)-(2-methyl-4-pyridinyl)-phenylmethanol.
What is the SMILES notation for (S)-(2-methyl-4-pyridinyl)-phenylmethanol?
The canonical SMILES for (S)-(2-methyl-4-pyridinyl)-phenylmethanol is Cc1cc([C@@H](O)c2ccccc2)ccn1.
What is the InChIKey of (S)-(2-methyl-4-pyridinyl)-phenylmethanol?
The InChIKey is WWXFASNYUOYLET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-9-12(7-8-14-10)13(15)11-5-3-2-4-6-11/h2-9,13,15H,1H3/t13-/m0/s1.
What are the key properties of (S)-(2-methyl-4-pyridinyl)-phenylmethanol?
(S)-(2-methyl-4-pyridinyl)-phenylmethanol has a molecular weight of 199.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methyl-4-pyridinyl)-phenylmethanol is sourced from PubChem (CID 122230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).