[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol

C15H17NO3 — CID 54192940

IUPAC[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
SMILESCOc1ccc(Cc2cccnc2CO)cc1OC
InChIInChI=1S/C15H17NO3/c1-18-14-6-5-11(9-15(14)19-2)8-12-4-3-7-16-13(12)10-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyPJTTVYVKHPVXHG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds5

About [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol

[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol (PubChem CID 54192940) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
PubChem CID54192940
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
SMILESCOc1ccc(Cc2cccnc2CO)cc1OC
InChIInChI=1S/C15H17NO3/c1-18-14-6-5-11(9-15(14)19-2)8-12-4-3-7-16-13(12)10-17/h3-7,9,17H,8,10H2,1-2H3
InChIKeyPJTTVYVKHPVXHG-UHFFFAOYSA-N
XLogP2.18
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol?
The IUPAC name of [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol (CID 54192940) is [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol is COc1ccc(Cc2cccnc2CO)cc1OC.
What is the InChIKey of [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol?
The InChIKey is PJTTVYVKHPVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-14-6-5-11(9-15(14)19-2)8-12-4-3-7-16-13(12)10-17/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol?
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 54192940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).