[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol

C13H14N2O3 — CID 62700689

IUPAC[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ncccn1
InChIInChI=1S/C13H14N2O3/c1-17-11-4-3-10(8-16)7-12(11)18-9-13-14-5-2-6-15-13/h2-7,16H,8-9H2,1H3
InChIKeyAZFFQKIJUDZNKS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.56
Rot. Bonds5

About [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol

[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol (PubChem CID 62700689) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
PubChem CID62700689
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(CO)cc1OCc1ncccn1
InChIInChI=1S/C13H14N2O3/c1-17-11-4-3-10(8-16)7-12(11)18-9-13-14-5-2-6-15-13/h2-7,16H,8-9H2,1H3
InChIKeyAZFFQKIJUDZNKS-UHFFFAOYSA-N
XLogP1.56
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
(3-methoxy-4-pyridin-2-ylphenyl)methanol
CID 71195386
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
CID 166012347
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol (CID 62700689) is [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol is COc1ccc(CO)cc1OCc1ncccn1.
What is the InChIKey of [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol?
The InChIKey is AZFFQKIJUDZNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-11-4-3-10(8-16)7-12(11)18-9-13-14-5-2-6-15-13/h2-7,16H,8-9H2,1H3.
What are the key properties of [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol?
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol has a molecular weight of 246.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 62700689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).