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

C15H12Cl4O2 — CID 23499672

IUPAC2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3
InChIKeyQDAYEQPBBHEJCP-UHFFFAOYSA-N
MW366.07 g/mol
LogP6.06
Rot. Bonds3

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

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol (PubChem CID 23499672) has the molecular formula C15H12Cl4O2 and a molecular weight of 366.07 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
PubChem CID23499672
Molecular FormulaC15H12Cl4O2
Molecular Weight366.07 g/mol
Exact Mass363.96
IUPAC Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3
InChIKeyQDAYEQPBBHEJCP-UHFFFAOYSA-N
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 56.06
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-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol (CID 23499672) is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol is CC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The InChIKey is QDAYEQPBBHEJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3.
What are the key properties of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol has a molecular weight of 366.07 g/mol, XLogP of 6.06, 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)propyl]phenol is sourced from PubChem (CID 23499672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).