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

C14H10Cl4O2 — CID 166436398

IUPAC2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol
SMILESOc1cc(CCc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-6-10(16)13(19)5-8(9)2-1-7-3-11(17)14(20)12(18)4-7/h3-6,19-20H,1-2H2
InChIKeyGZOLYDPQXAFMMC-UHFFFAOYSA-N
MW352.04 g/mol
LogP5.50
Rot. Bonds3

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

2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol (PubChem CID 166436398) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol
PubChem CID166436398
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol
SMILESOc1cc(CCc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-6-10(16)13(19)5-8(9)2-1-7-3-11(17)14(20)12(18)4-7/h3-6,19-20H,1-2H2
InChIKeyGZOLYDPQXAFMMC-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol (CID 166436398) is 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol is Oc1cc(CCc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol?
The InChIKey is GZOLYDPQXAFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c15-9-6-10(16)13(19)5-8(9)2-1-7-3-11(17)14(20)12(18)4-7/h3-6,19-20H,1-2H2.
What are the key properties of 2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol?
2,6-dichloro-4-[2-(2,4-dichloro-5-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-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 166436398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).