3,4-dichlorophenol

C6H4Cl2O — CID 7258

IUPAC3,4-dichlorophenol
SMILESOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKeyWDNBURPWRNALGP-UHFFFAOYSA-N
MW163.00 g/mol
LogP2.70
Rot. Bonds

About 3,4-dichlorophenol

3,4-dichlorophenol (PubChem CID 7258) has the molecular formula C6H4Cl2O and a molecular weight of 163.00 g/mol. Its IUPAC name is 3,4-dichlorophenol.

Molecular Properties

Compound Name3,4-dichlorophenol
PubChem CID7258
Molecular FormulaC6H4Cl2O
Molecular Weight163.00 g/mol
Exact Mass161.96
IUPAC Name3,4-dichlorophenol
SMILESOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKeyWDNBURPWRNALGP-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.00
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichlorophenol
CID 8449
4-Chlorophenol
CID 4684
2,4,5-Trichlorophenol
CID 7271
2,3,4,5-Tetrachlorophenol
CID 21013
2,3,4,6-Tetrachlorophenol
CID 6028
2,3-Dichlorophenol
CID 11334
2,3,4-Trichlorophenol
CID 27582
2,3,6-Trichlorophenol
CID 13618
3-Chlorophenol
CID 7933
2,5-Dichlorophenol
CID 66
3,4,5-Trichlorophenol
CID 11859
2-Chlorophenol
CID 7245

Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorophenol?
The IUPAC name of 3,4-dichlorophenol (CID 7258) is 3,4-dichlorophenol.
What is the SMILES notation for 3,4-dichlorophenol?
The canonical SMILES for 3,4-dichlorophenol is Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorophenol?
The InChIKey is WDNBURPWRNALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H.
What are the key properties of 3,4-dichlorophenol?
3,4-dichlorophenol has a molecular weight of 163.00 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorophenol is sourced from PubChem (CID 7258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).