[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol

C15H17NO3 — CID 820399

IUPAC[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(CO)c1OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-15(14(9-18)13(8-17)7-16-11)19-10-12-5-3-2-4-6-12/h2-7,17-18H,8-10H2,1H3
InChIKeyQXWLUNCKNWCIIF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.95
Rot. Bonds5

About [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol

[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol (PubChem CID 820399) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
PubChem CID820399
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(CO)c1OCc1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-15(14(9-18)13(8-17)7-16-11)19-10-12-5-3-2-4-6-12/h2-7,17-18H,8-10H2,1H3
InChIKeyQXWLUNCKNWCIIF-UHFFFAOYSA-N
XLogP1.95
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-ethyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 58636772
1-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 54364426
[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol
CID 15613396
4-[[4-[(4-cyanoanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 68644152
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
4-cyano-N-[[5-[(4-cyanophenyl)methoxy]-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]benzamide
CID 68644479
[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
CID 10426329
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
[4,5-bis(hydroxymethyl)-2-(phenylmethoxycarbamoyl)-3-pyridinyl] cyanate
CID 143903360
2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 162144385
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol (CID 820399) is [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol is Cc1ncc(CO)c(CO)c1OCc1ccccc1.
What is the InChIKey of [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The InChIKey is QXWLUNCKNWCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-15(14(9-18)13(8-17)7-16-11)19-10-12-5-3-2-4-6-12/h2-7,17-18H,8-10H2,1H3.
What are the key properties of [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol is sourced from PubChem (CID 820399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).