2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane

C17H22Cl4O2 — CID 145310066

IUPAC2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
SMILESC.CC.CC.Oc1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2.2C2H6.CH4/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18;2*1-2;/h1-4,17-18H;2*1-2H3;1H4
InChIKeySPYPRSPZBYXCMK-UHFFFAOYSA-N
MW400.17 g/mol
LogP8.07
Rot. Bonds1

About 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane (PubChem CID 145310066) has the molecular formula C17H22Cl4O2 and a molecular weight of 400.17 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
PubChem CID145310066
Molecular FormulaC17H22Cl4O2
Molecular Weight400.17 g/mol
Exact Mass398.04
IUPAC Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
SMILESC.CC.CC.Oc1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O2.2C2H6.CH4/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18;2*1-2;/h1-4,17-18H;2*1-2H3;1H4
InChIKeySPYPRSPZBYXCMK-UHFFFAOYSA-N
XLogP8.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.17
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
2-(4-aminophenyl)-4,6-dichlorophenol
CID 39225052
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101110060
2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol
CID 177496549
2,4-dichloro-6-ethanehydrazonoylphenol
CID 135541682
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
2,4-dichloro-6-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 136912842
2,4-dichloro-6-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenol
CID 3807261

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane?
The IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane (CID 145310066) is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane?
The canonical SMILES for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane is C.CC.CC.Oc1c(Cl)cc(Cl)cc1-c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane?
The InChIKey is SPYPRSPZBYXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O2.2C2H6.CH4/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18;2*1-2;/h1-4,17-18H;2*1-2H3;1H4.
What are the key properties of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane?
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane has a molecular weight of 400.17 g/mol, XLogP of 8.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane is sourced from PubChem (CID 145310066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).