2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol

C13H13ClN2O3 — CID 107709676

IUPAC2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
SMILESCOc1ncc(Cl)c(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H13ClN2O3/c1-18-13-15-8-11(14)12(16-13)19-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7H2,1H3
InChIKeyNPXYTIOUECQNOC-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.47
Rot. Bonds5

About 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol

2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 107709676) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID107709676
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
SMILESCOc1ncc(Cl)c(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H13ClN2O3/c1-18-13-15-8-11(14)12(16-13)19-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7H2,1H3
InChIKeyNPXYTIOUECQNOC-UHFFFAOYSA-N
XLogP2.47
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
5-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylaniline
CID 114252547
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
2-[4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107710331
2-[4-(5-iodopyrimidin-2-yl)oxyphenyl]ethanol
CID 104844198
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
CID 107708674

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol (CID 107709676) is 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol is COc1ncc(Cl)c(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is NPXYTIOUECQNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-13-15-8-11(14)12(16-13)19-10-4-2-9(3-5-10)6-7-17/h2-5,8,17H,6-7H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol?
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 280.71 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107709676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).