5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol

C25H18ClF3N2O3 — CID 135651291

IUPAC5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)ncnc2C(F)(F)F)cc1
InChIInChI=1S/C25H18ClF3N2O3/c1-33-18-7-5-16(6-8-18)22-23(30-14-31-24(22)25(27,28)29)20-10-9-19(12-21(20)32)34-13-15-3-2-4-17(26)11-15/h2-12,14,32H,13H2,1H3
InChIKeyPCGSKMZASOXWCE-UHFFFAOYSA-N
MW486.88 g/mol
LogP6.78
Rot. Bonds6

About 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol

5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 135651291) has the molecular formula C25H18ClF3N2O3 and a molecular weight of 486.88 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID135651291
Molecular FormulaC25H18ClF3N2O3
Molecular Weight486.88 g/mol
Exact Mass486.10
IUPAC Name5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)ncnc2C(F)(F)F)cc1
InChIInChI=1S/C25H18ClF3N2O3/c1-33-18-7-5-16(6-8-18)22-23(30-14-31-24(22)25(27,28)29)20-10-9-19(12-21(20)32)34-13-15-3-2-4-17(26)11-15/h2-12,14,32H,13H2,1H3
InChIKeyPCGSKMZASOXWCE-UHFFFAOYSA-N
XLogP6.78
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651708
5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135656363
5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651773
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 2035965
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652089
5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 2035295
2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 135651291) is 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is COc1ccc(-c2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)ncnc2C(F)(F)F)cc1.
What is the InChIKey of 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is PCGSKMZASOXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N2O3/c1-33-18-7-5-16(6-8-18)22-23(30-14-31-24(22)25(27,28)29)20-10-9-19(12-21(20)32)34-13-15-3-2-4-17(26)11-15/h2-12,14,32H,13H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 486.88 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135651291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).