5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol

C18H16N2O4 — CID 67997159

IUPAC5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(COc2ccnc(-c3cc(O)cc(O)c3)n2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-16-4-2-12(3-5-16)11-24-17-6-7-19-18(20-17)13-8-14(21)10-15(22)9-13/h2-10,21-22H,11H2,1H3
InChIKeyLOKNZYDGONPWEE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.14
Rot. Bonds5

About 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol

5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol (PubChem CID 67997159) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol
PubChem CID67997159
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(COc2ccnc(-c3cc(O)cc(O)c3)n2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-16-4-2-12(3-5-16)11-24-17-6-7-19-18(20-17)13-8-14(21)10-15(22)9-13/h2-10,21-22H,11H2,1H3
InChIKeyLOKNZYDGONPWEE-UHFFFAOYSA-N
XLogP3.14
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-pentan-3-yloxyphenol
CID 67997146
(2S)-2-[3-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]-5-(4-methylsulfonylphenoxy)phenoxy]propan-1-ol
CID 67996635
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974
6-[(4-methoxyphenyl)methoxy]pyridine-2,3-diamine
CID 59437374
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
4-iodo-2-[(4-methoxyphenyl)methoxy]-5-methylpyridine
CID 157251524
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol
CID 157454667

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol (CID 67997159) is 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol is COc1ccc(COc2ccnc(-c3cc(O)cc(O)c3)n2)cc1.
What is the InChIKey of 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol?
The InChIKey is LOKNZYDGONPWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-16-4-2-12(3-5-16)11-24-17-6-7-19-18(20-17)13-8-14(21)10-15(22)9-13/h2-10,21-22H,11H2,1H3.
What are the key properties of 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol?
5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol has a molecular weight of 324.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxyphenyl)methoxy]pyrimidin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 67997159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).