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

C15H17NO2 — CID 117243147

IUPAC2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
SMILESCc1cccc(C(CO)COc2cccnc2)c1
InChIInChI=1S/C15H17NO2/c1-12-4-2-5-13(8-12)14(10-17)11-18-15-6-3-7-16-9-15/h2-9,14,17H,10-11H2,1H3
InChIKeyRFMSOMIXINALQE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds5

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

2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol (PubChem CID 117243147) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
PubChem CID117243147
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
SMILESCc1cccc(C(CO)COc2cccnc2)c1
InChIInChI=1S/C15H17NO2/c1-12-4-2-5-13(8-12)14(10-17)11-18-15-6-3-7-16-9-15/h2-9,14,17H,10-11H2,1H3
InChIKeyRFMSOMIXINALQE-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
CID 112516545
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol?
The IUPAC name of 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol (CID 117243147) is 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol is Cc1cccc(C(CO)COc2cccnc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol?
The InChIKey is RFMSOMIXINALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-4-2-5-13(8-12)14(10-17)11-18-15-6-3-7-16-9-15/h2-9,14,17H,10-11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol?
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol is sourced from PubChem (CID 117243147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).