1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol

C15H17NO4 — CID 107743552

IUPAC1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
SMILESCOc1cc(CO)ccc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C15H17NO4/c1-10(18)13-5-4-12(8-16-13)20-14-6-3-11(9-17)7-15(14)19-2/h3-8,10,17-18H,9H2,1-2H3
InChIKeySTJCACSNIOZCKZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.43
Rot. Bonds5

About 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol

1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol (PubChem CID 107743552) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
PubChem CID107743552
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
SMILESCOc1cc(CO)ccc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C15H17NO4/c1-10(18)13-5-4-12(8-16-13)20-14-6-3-11(9-17)7-15(14)19-2/h3-8,10,17-18H,9H2,1-2H3
InChIKeySTJCACSNIOZCKZ-UHFFFAOYSA-N
XLogP2.43
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
CID 107743378
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
(1R)-1-(5-naphthalen-1-yloxy-2-pyridinyl)ethanol
CID 83125038

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol (CID 107743552) is 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol is COc1cc(CO)ccc1Oc1ccc(C(C)O)nc1.
What is the InChIKey of 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol?
The InChIKey is STJCACSNIOZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(18)13-5-4-12(8-16-13)20-14-6-3-11(9-17)7-15(14)19-2/h3-8,10,17-18H,9H2,1-2H3.
What are the key properties of 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol?
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol has a molecular weight of 275.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol is sourced from PubChem (CID 107743552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).