2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol

C20H20N2O3 — CID 130232591

IUPAC2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol
SMILESCCOc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1O
InChIInChI=1S/C20H20N2O3/c1-3-25-20-9-8-14(11-18(20)23)10-15-12-17(22-13-21-15)16-6-4-5-7-19(16)24-2/h4-9,11-13,23H,3,10H2,1-2H3
InChIKeyJHRNILJGHYXEQG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.85
Rot. Bonds6

About 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol

2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol (PubChem CID 130232591) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol
PubChem CID130232591
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol
SMILESCCOc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1O
InChIInChI=1S/C20H20N2O3/c1-3-25-20-9-8-14(11-18(20)23)10-15-12-17(22-13-21-15)16-6-4-5-7-19(16)24-2/h4-9,11-13,23H,3,10H2,1-2H3
InChIKeyJHRNILJGHYXEQG-UHFFFAOYSA-N
XLogP3.85
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol (CID 130232591) is 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol is CCOc1ccc(Cc2cc(-c3ccccc3OC)ncn2)cc1O.
What is the InChIKey of 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol?
The InChIKey is JHRNILJGHYXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-20-9-8-14(11-18(20)23)10-15-12-17(22-13-21-15)16-6-4-5-7-19(16)24-2/h4-9,11-13,23H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol?
2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol has a molecular weight of 336.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol is sourced from PubChem (CID 130232591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).