5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol

C26H24N2O3 — CID 135651854

IUPAC5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccccc1-c1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O
InChIInChI=1S/C26H24N2O3/c1-17-8-9-18(2)19(12-17)15-31-20-10-11-22(24(29)13-20)26-23(14-27-16-28-26)21-6-4-5-7-25(21)30-3/h4-14,16,29H,15H2,1-3H3
InChIKeyZOIHCACPLWJELN-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.72
Rot. Bonds6

About 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol

5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135651854) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135651854
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccccc1-c1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O
InChIInChI=1S/C26H24N2O3/c1-17-8-9-18(2)19(12-17)15-31-20-10-11-22(24(29)13-20)26-23(14-27-16-28-26)21-6-4-5-7-25(21)30-3/h4-14,16,29H,15H2,1-3H3
InChIKeyZOIHCACPLWJELN-UHFFFAOYSA-N
XLogP5.72
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol (CID 135651854) is 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol is COc1ccccc1-c1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is ZOIHCACPLWJELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-8-9-18(2)19(12-17)15-31-20-10-11-22(24(29)13-20)26-23(14-27-16-28-26)21-6-4-5-7-25(21)30-3/h4-14,16,29H,15H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 412.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135651854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).