(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol

C14H15NO2 — CID 173075864

IUPAC(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol
SMILESCc1ccccc1C(O)OCc1cccnc1
InChIInChI=1S/C14H15NO2/c1-11-5-2-3-7-13(11)14(16)17-10-12-6-4-8-15-9-12/h2-9,14,16H,10H2,1H3
InChIKeyYAXRHIVYHMVXHA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.60
Rot. Bonds4

About (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol

(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol (PubChem CID 173075864) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol.

Molecular Properties

Compound Name(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol
PubChem CID173075864
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol
SMILESCc1ccccc1C(O)OCc1cccnc1
InChIInChI=1S/C14H15NO2/c1-11-5-2-3-7-13(11)14(16)17-10-12-6-4-8-15-9-12/h2-9,14,16H,10H2,1H3
InChIKeyYAXRHIVYHMVXHA-UHFFFAOYSA-N
XLogP2.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
CID 104789605

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol?
The IUPAC name of (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol (CID 173075864) is (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol.
What is the SMILES notation for (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol?
The canonical SMILES for (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol is Cc1ccccc1C(O)OCc1cccnc1.
What is the InChIKey of (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol?
The InChIKey is YAXRHIVYHMVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-5-2-3-7-13(11)14(16)17-10-12-6-4-8-15-9-12/h2-9,14,16H,10H2,1H3.
What are the key properties of (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol?
(2-methylphenyl)-(pyridin-3-ylmethoxy)methanol has a molecular weight of 229.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(pyridin-3-ylmethoxy)methanol is sourced from PubChem (CID 173075864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).