5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol

C25H20Cl2N2O4 — CID 135651610

IUPAC5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cncnc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)cc1OC
InChIInChI=1S/C25H20Cl2N2O4/c1-31-23-9-6-15(10-24(23)32-2)18-12-28-14-29-25(18)17-8-7-16(11-22(17)30)33-13-19-20(26)4-3-5-21(19)27/h3-12,14,30H,13H2,1-2H3
InChIKeyNGSCEVVLGUBLNG-UHFFFAOYSA-N
MW483.35 g/mol
LogP6.42
Rot. Bonds7

About 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol

5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135651610) has the molecular formula C25H20Cl2N2O4 and a molecular weight of 483.35 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135651610
Molecular FormulaC25H20Cl2N2O4
Molecular Weight483.35 g/mol
Exact Mass482.08
IUPAC Name5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cncnc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)cc1OC
InChIInChI=1S/C25H20Cl2N2O4/c1-31-23-9-6-15(10-24(23)32-2)18-12-28-14-29-25(18)17-8-7-16(11-22(17)30)33-13-19-20(26)4-3-5-21(19)27/h3-12,14,30H,13H2,1-2H3
InChIKeyNGSCEVVLGUBLNG-UHFFFAOYSA-N
XLogP6.42
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.35
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
CID 135651332
2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652089
5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135651854
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135575615
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)chromen-2-one
CID 2064308
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol (CID 135651610) is 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol is COc1ccc(-c2cncnc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)cc1OC.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is NGSCEVVLGUBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O4/c1-31-23-9-6-15(10-24(23)32-2)18-12-28-14-29-25(18)17-8-7-16(11-22(17)30)33-13-19-20(26)4-3-5-21(19)27/h3-12,14,30H,13H2,1-2H3.
What are the key properties of 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 483.35 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135651610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).