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

Related Compounds

5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135575615
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
CID 135652427
5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651773
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 61481933
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496

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).