2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol

C14H10Cl4O2 — CID 22112154

IUPAC2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1c(Cl)cc(CCc2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-3-7(4-10(16)13(9)19)1-2-8-5-11(17)14(20)12(18)6-8/h3-6,19-20H,1-2H2
InChIKeyWVQNLBALYBVLNC-UHFFFAOYSA-N
MW352.04 g/mol
LogP5.50
Rot. Bonds3

About 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 22112154) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
PubChem CID22112154
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1c(Cl)cc(CCc2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-3-7(4-10(16)13(9)19)1-2-8-5-11(17)14(20)12(18)6-8/h3-6,19-20H,1-2H2
InChIKeyWVQNLBALYBVLNC-UHFFFAOYSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.04
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrachlorobisphenol A
CID 6619
2-Chloro-4-Phenylphenol
CID 7074
3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
CID 97032
2,6-Dichloro-4-methylphenol
CID 17077
Benzenemethanol, 3,5-dichloro-4-hydroxy-
CID 176409
Tetrachlorophene
CID 16023
3,3'-Dichlorobisphenol A
CID 66238
2-Hydroxy-3,5-dichlorobiphenyl
CID 21419
2-Chloro-4-nonylphenol
CID 43176
4-tert-Butyl-2-chlorophenol
CID 7380
2-Phenyl-6-chlorophenol
CID 61529
2',3,3',4',5-Pentachloro-4-hydroxybiphenyl
CID 177880

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol (CID 22112154) is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol is Oc1c(Cl)cc(CCc2cc(Cl)c(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is WVQNLBALYBVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c15-9-3-7(4-10(16)13(9)19)1-2-8-5-11(17)14(20)12(18)6-8/h3-6,19-20H,1-2H2.
What are the key properties of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol?
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 352.04 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 22112154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).