3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol

C13H7Cl3F2O2 — CID 86576202

IUPAC3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol
SMILESOc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1C(F)F
InChIInChI=1S/C13H7Cl3F2O2/c14-6-1-3-9(8(16)5-6)20-10-4-2-7(15)11(12(10)19)13(17)18/h1-5,13,19H
InChIKeySCPNDLMPSJOEKL-UHFFFAOYSA-N
MW339.55 g/mol
LogP6.08
Rot. Bonds3

About 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol

3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol (PubChem CID 86576202) has the molecular formula C13H7Cl3F2O2 and a molecular weight of 339.55 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol
PubChem CID86576202
Molecular FormulaC13H7Cl3F2O2
Molecular Weight339.55 g/mol
Exact Mass337.95
IUPAC Name3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol
SMILESOc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1C(F)F
InChIInChI=1S/C13H7Cl3F2O2/c14-6-1-3-9(8(16)5-6)20-10-4-2-7(15)11(12(10)19)13(17)18/h1-5,13,19H
InChIKeySCPNDLMPSJOEKL-UHFFFAOYSA-N
XLogP6.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.55
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol?
The IUPAC name of 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol (CID 86576202) is 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol.
What is the SMILES notation for 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol?
The canonical SMILES for 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol is Oc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1C(F)F.
What is the InChIKey of 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol?
The InChIKey is SCPNDLMPSJOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2O2/c14-6-1-3-9(8(16)5-6)20-10-4-2-7(15)11(12(10)19)13(17)18/h1-5,13,19H.
What are the key properties of 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol?
3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol has a molecular weight of 339.55 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dichlorophenoxy)-2-(difluoromethyl)phenol is sourced from PubChem (CID 86576202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).