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

C13H8Cl4O2 — CID 16023

IUPAC2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2
InChIKeyPKKDWPSOOQBWFB-UHFFFAOYSA-N
MW338.02 g/mol
LogP5.30
Rot. Bonds2

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

2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol (PubChem CID 16023) has the molecular formula C13H8Cl4O2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol
PubChem CID16023
Molecular FormulaC13H8Cl4O2
Molecular Weight338.02 g/mol
Exact Mass335.93
IUPAC Name2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2
InChIKeyPKKDWPSOOQBWFB-UHFFFAOYSA-N
XLogP5.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.02
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol (CID 16023) is 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol is Oc1c(Cl)cc(Cl)cc1Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol?
The InChIKey is PKKDWPSOOQBWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2.
What are the key properties of 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol?
2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol has a molecular weight of 338.02 g/mol, XLogP of 5.30, 2 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)methyl]phenol is sourced from PubChem (CID 16023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).