[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol

C16H19NO3 — CID 21221229

IUPAC[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)cc1OCCCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-16-11-17-14(12-18)10-15(16)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3
InChIKeyZRQPTJWCXXDPQQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.59
Rot. Bonds7

About [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol

[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol (PubChem CID 21221229) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
PubChem CID21221229
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
SMILESCOc1cnc(CO)cc1OCCCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-16-11-17-14(12-18)10-15(16)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3
InChIKeyZRQPTJWCXXDPQQ-UHFFFAOYSA-N
XLogP2.59
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one
CID 142647400
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
4-[3,4-bis(3-phenylpropoxy)phenyl]butan-1-ol
CID 160796126
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol (CID 21221229) is [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol is COc1cnc(CO)cc1OCCCc1ccccc1.
What is the InChIKey of [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol?
The InChIKey is ZRQPTJWCXXDPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-16-11-17-14(12-18)10-15(16)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3.
What are the key properties of [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol?
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 21221229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).