2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol

C14H15ClN2O3 — CID 107712360

IUPAC2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
SMILESCOCc1nc(Cl)cc(Oc2ccccc2CCO)n1
InChIInChI=1S/C14H15ClN2O3/c1-19-9-13-16-12(15)8-14(17-13)20-11-5-3-2-4-10(11)6-7-18/h2-5,8,18H,6-7,9H2,1H3
InChIKeyAJHVCKAUYNDHKY-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol

2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol (PubChem CID 107712360) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
PubChem CID107712360
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
SMILESCOCc1nc(Cl)cc(Oc2ccccc2CCO)n1
InChIInChI=1S/C14H15ClN2O3/c1-19-9-13-16-12(15)8-14(17-13)20-11-5-3-2-4-10(11)6-7-18/h2-5,8,18H,6-7,9H2,1H3
InChIKeyAJHVCKAUYNDHKY-UHFFFAOYSA-N
XLogP2.60
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
CID 80948079
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol
CID 107712359
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 107712774

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol?
The IUPAC name of 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol (CID 107712360) is 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol?
The canonical SMILES for 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol is COCc1nc(Cl)cc(Oc2ccccc2CCO)n1.
What is the InChIKey of 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol?
The InChIKey is AJHVCKAUYNDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-9-13-16-12(15)8-14(17-13)20-11-5-3-2-4-10(11)6-7-18/h2-5,8,18H,6-7,9H2,1H3.
What are the key properties of 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol?
2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol has a molecular weight of 294.74 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol is sourced from PubChem (CID 107712360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).