3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol

C16H19NO2 — CID 12051003

IUPAC3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol
SMILESCOc1ccc(-c2cnc(CCCO)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-10-14(4-3-9-18)17-11-16(12)13-5-7-15(19-2)8-6-13/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyFJAPKBGARAKODB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.99
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol

3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol (PubChem CID 12051003) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol
PubChem CID12051003
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol
SMILESCOc1ccc(-c2cnc(CCCO)cc2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-10-14(4-3-9-18)17-11-16(12)13-5-7-15(19-2)8-6-13/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyFJAPKBGARAKODB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bisacodyl
CID 2391
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
6-Methoxy-4-methylquinoline
CID 258761
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol (CID 12051003) is 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol is COc1ccc(-c2cnc(CCCO)cc2C)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol?
The InChIKey is FJAPKBGARAKODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-10-14(4-3-9-18)17-11-16(12)13-5-7-15(19-2)8-6-13/h5-8,10-11,18H,3-4,9H2,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol?
3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-4-methyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 12051003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).