3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol

C23H26N2O4 — CID 67997146

IUPAC3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol
SMILESCCC(CC)Oc1cc(O)cc(-c2nccc(OCc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C23H26N2O4/c1-4-19(5-2)29-21-13-17(12-18(26)14-21)23-24-11-10-22(25-23)28-15-16-6-8-20(27-3)9-7-16/h6-14,19,26H,4-5,15H2,1-3H3
InChIKeyHMWCQLQPTCGUEQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.00
Rot. Bonds9

About 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol

3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol (PubChem CID 67997146) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol
PubChem CID67997146
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol
SMILESCCC(CC)Oc1cc(O)cc(-c2nccc(OCc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C23H26N2O4/c1-4-19(5-2)29-21-13-17(12-18(26)14-21)23-24-11-10-22(25-23)28-15-16-6-8-20(27-3)9-7-16/h6-14,19,26H,4-5,15H2,1-3H3
InChIKeyHMWCQLQPTCGUEQ-UHFFFAOYSA-N
XLogP5.00
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol
CID 67997159
(2S)-2-[3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-(4-methylsulfonylphenoxy)phenoxy]propan-1-ol
CID 67996635
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol
CID 157454667
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
3-(4-ethylphenyl)-5-methoxyphenol
CID 53220748
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol?
The IUPAC name of 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol (CID 67997146) is 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol is CCC(CC)Oc1cc(O)cc(-c2nccc(OCc3ccc(OC)cc3)n2)c1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol?
The InChIKey is HMWCQLQPTCGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-19(5-2)29-21-13-17(12-18(26)14-21)23-24-11-10-22(25-23)28-15-16-6-8-20(27-3)9-7-16/h6-14,19,26H,4-5,15H2,1-3H3.
What are the key properties of 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol?
3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol has a molecular weight of 394.47 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol is sourced from PubChem (CID 67997146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).