2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol

C25H20Cl4N2O4 — CID 70524049

IUPAC2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)c2cncnc2)c(OC)c1.Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H14N2O3.C12H6Cl4O/c1-17-10-3-4-11(12(5-10)18-2)13(16)9-6-14-8-15-7-9;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h3-8,13,16H,1-2H3;1-6H
InChIKeyDUIMPJOSUDREHO-UHFFFAOYSA-N
MW554.26 g/mol
LogP7.67
Rot. Bonds6

About 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol

2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol (PubChem CID 70524049) has the molecular formula C25H20Cl4N2O4 and a molecular weight of 554.26 g/mol. Its IUPAC name is 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol
PubChem CID70524049
Molecular FormulaC25H20Cl4N2O4
Molecular Weight554.26 g/mol
Exact Mass552.02
IUPAC Name2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)c2cncnc2)c(OC)c1.Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H14N2O3.C12H6Cl4O/c1-17-10-3-4-11(12(5-10)18-2)13(16)9-6-14-8-15-7-9;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h3-8,13,16H,1-2H3;1-6H
InChIKeyDUIMPJOSUDREHO-UHFFFAOYSA-N
XLogP7.67
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.26
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
CID 11667808

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol (CID 70524049) is 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol is COc1ccc(C(O)c2cncnc2)c(OC)c1.Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is DUIMPJOSUDREHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.C12H6Cl4O/c1-17-10-3-4-11(12(5-10)18-2)13(16)9-6-14-8-15-7-9;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h3-8,13,16H,1-2H3;1-6H.
What are the key properties of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol?
2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 554.26 g/mol, XLogP of 7.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dimethoxyphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 70524049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).