5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol

C18H16N2O4 — CID 665819

IUPAC5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
SMILESCOc1cccc(Oc2cncnc2-c2ccc(OC)cc2O)c1
InChIInChI=1S/C18H16N2O4/c1-22-12-4-3-5-14(8-12)24-17-10-19-11-20-18(17)15-7-6-13(23-2)9-16(15)21/h3-11,21H,1-2H3
InChIKeyVBOJOFAQHWGARZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.66
Rot. Bonds5

About 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol

5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol (PubChem CID 665819) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
PubChem CID665819
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
SMILESCOc1cccc(Oc2cncnc2-c2ccc(OC)cc2O)c1
InChIInChI=1S/C18H16N2O4/c1-22-12-4-3-5-14(8-12)24-17-10-19-11-20-18(17)15-7-6-13(23-2)9-16(15)21/h3-11,21H,1-2H3
InChIKeyVBOJOFAQHWGARZ-UHFFFAOYSA-N
XLogP3.66
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol (CID 665819) is 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol is COc1cccc(Oc2cncnc2-c2ccc(OC)cc2O)c1.
What is the InChIKey of 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol?
The InChIKey is VBOJOFAQHWGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-12-4-3-5-14(8-12)24-17-10-19-11-20-18(17)15-7-6-13(23-2)9-16(15)21/h3-11,21H,1-2H3.
What are the key properties of 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol?
5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol has a molecular weight of 324.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol is sourced from PubChem (CID 665819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).