3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol

C16H19NO2 — CID 105110886

IUPAC3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
SMILESCc1cccc(OCCC(O)c2cnccc2C)c1
InChIInChI=1S/C16H19NO2/c1-12-4-3-5-14(10-12)19-9-7-16(18)15-11-17-8-6-13(15)2/h3-6,8,10-11,16,18H,7,9H2,1-2H3
InChIKeyRRLFXCKZHWEQDF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.20
Rot. Bonds5

About 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol

3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol (PubChem CID 105110886) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
PubChem CID105110886
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
SMILESCc1cccc(OCCC(O)c2cnccc2C)c1
InChIInChI=1S/C16H19NO2/c1-12-4-3-5-14(10-12)19-9-7-16(18)15-11-17-8-6-13(15)2/h3-6,8,10-11,16,18H,7,9H2,1-2H3
InChIKeyRRLFXCKZHWEQDF-UHFFFAOYSA-N
XLogP3.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol (CID 105110886) is 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol is Cc1cccc(OCCC(O)c2cnccc2C)c1.
What is the InChIKey of 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is RRLFXCKZHWEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-4-3-5-14(10-12)19-9-7-16(18)15-11-17-8-6-13(15)2/h3-6,8,10-11,16,18H,7,9H2,1-2H3.
What are the key properties of 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol?
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 105110886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).