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

C23H16BrClN2O2 — CID 135652089

IUPAC2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
SMILESOc1cc(OCc2cccc(Cl)c2)ccc1-c1ncncc1-c1ccc(Br)cc1
InChIInChI=1S/C23H16BrClN2O2/c24-17-6-4-16(5-7-17)21-12-26-14-27-23(21)20-9-8-19(11-22(20)28)29-13-15-2-1-3-18(25)10-15/h1-12,14,28H,13H2
InChIKeyGMJKCMILLOPPKG-UHFFFAOYSA-N
MW467.75 g/mol
LogP6.51
Rot. Bonds5

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

2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol (PubChem CID 135652089) has the molecular formula C23H16BrClN2O2 and a molecular weight of 467.75 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
PubChem CID135652089
Molecular FormulaC23H16BrClN2O2
Molecular Weight467.75 g/mol
Exact Mass466.01
IUPAC Name2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
SMILESOc1cc(OCc2cccc(Cl)c2)ccc1-c1ncncc1-c1ccc(Br)cc1
InChIInChI=1S/C23H16BrClN2O2/c24-17-6-4-16(5-7-17)21-12-26-14-27-23(21)20-9-8-19(11-22(20)28)29-13-15-2-1-3-18(25)10-15/h1-12,14,28H,13H2
InChIKeyGMJKCMILLOPPKG-UHFFFAOYSA-N
XLogP6.51
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651291
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-phenyl-5-phenylmethoxyphenol
CID 123808909
5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135575615
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol?
The IUPAC name of 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol (CID 135652089) is 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol?
The canonical SMILES for 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol is Oc1cc(OCc2cccc(Cl)c2)ccc1-c1ncncc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol?
The InChIKey is GMJKCMILLOPPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN2O2/c24-17-6-4-16(5-7-17)21-12-26-14-27-23(21)20-9-8-19(11-22(20)28)29-13-15-2-1-3-18(25)10-15/h1-12,14,28H,13H2.
What are the key properties of 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol?
2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol has a molecular weight of 467.75 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol is sourced from PubChem (CID 135652089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).