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

C12H7Cl3O2 — CID 154322466

IUPAC3-chloro-4-(2,3-dichlorophenoxy)phenol
SMILESOc1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3O2/c13-8-2-1-3-11(12(8)15)17-10-5-4-7(16)6-9(10)14/h1-6,16H
InChIKeyMNRSQZRJAGPIHY-UHFFFAOYSA-N
MW289.55 g/mol
LogP5.14
Rot. Bonds2

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

3-chloro-4-(2,3-dichlorophenoxy)phenol (PubChem CID 154322466) has the molecular formula C12H7Cl3O2 and a molecular weight of 289.55 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dichlorophenoxy)phenol.

Molecular Properties

Compound Name3-chloro-4-(2,3-dichlorophenoxy)phenol
PubChem CID154322466
Molecular FormulaC12H7Cl3O2
Molecular Weight289.55 g/mol
Exact Mass287.95
IUPAC Name3-chloro-4-(2,3-dichlorophenoxy)phenol
SMILESOc1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3O2/c13-8-2-1-3-11(12(8)15)17-10-5-4-7(16)6-9(10)14/h1-6,16H
InChIKeyMNRSQZRJAGPIHY-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
(2-chloro-4-hydroxyphenyl) hypochlorite
CID 174920308
3-chloro-4-(2,3-dichlorophenoxy)thiophene
CID 173291739
1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
CID 114061460
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3-dichlorophenoxy)phenol?
The IUPAC name of 3-chloro-4-(2,3-dichlorophenoxy)phenol (CID 154322466) is 3-chloro-4-(2,3-dichlorophenoxy)phenol.
What is the SMILES notation for 3-chloro-4-(2,3-dichlorophenoxy)phenol?
The canonical SMILES for 3-chloro-4-(2,3-dichlorophenoxy)phenol is Oc1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,3-dichlorophenoxy)phenol?
The InChIKey is MNRSQZRJAGPIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2/c13-8-2-1-3-11(12(8)15)17-10-5-4-7(16)6-9(10)14/h1-6,16H.
What are the key properties of 3-chloro-4-(2,3-dichlorophenoxy)phenol?
3-chloro-4-(2,3-dichlorophenoxy)phenol has a molecular weight of 289.55 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dichlorophenoxy)phenol is sourced from PubChem (CID 154322466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).