2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol

C23H14Cl6N2O2 — CID 88730713

IUPAC2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol
SMILESClc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.OCc1cc(-c2ncccn2)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4O.C11H8Cl2N2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;12-9-5-10(13)8(4-7(9)6-16)11-14-2-1-3-15-11/h1-6H;1-5,16H,6H2
InChIKeyKZHRTHPBYMINFH-UHFFFAOYSA-N
MW563.10 g/mol
LogP9.04
Rot. Bonds4

About 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol

2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol (PubChem CID 88730713) has the molecular formula C23H14Cl6N2O2 and a molecular weight of 563.10 g/mol. Its IUPAC name is 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol.

Molecular Properties

Compound Name2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol
PubChem CID88730713
Molecular FormulaC23H14Cl6N2O2
Molecular Weight563.10 g/mol
Exact Mass559.92
IUPAC Name2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol
SMILESClc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.OCc1cc(-c2ncccn2)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4O.C11H8Cl2N2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;12-9-5-10(13)8(4-7(9)6-16)11-14-2-1-3-15-11/h1-6H;1-5,16H,6H2
InChIKeyKZHRTHPBYMINFH-UHFFFAOYSA-N
XLogP9.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.10
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
CID 172641394
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
4-(chloromethyl)-1-(2,4-dichlorophenoxy)isoquinoline
CID 106769528
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol?
The IUPAC name of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol (CID 88730713) is 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol.
What is the SMILES notation for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol?
The canonical SMILES for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol is Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.OCc1cc(-c2ncccn2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol?
The InChIKey is KZHRTHPBYMINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O.C11H8Cl2N2O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;12-9-5-10(13)8(4-7(9)6-16)11-14-2-1-3-15-11/h1-6H;1-5,16H,6H2.
What are the key properties of 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol?
2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol has a molecular weight of 563.10 g/mol, XLogP of 9.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol is sourced from PubChem (CID 88730713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).