1,3-dichlorobenzene;2,4-dichlorophenol

C12H8Cl4O — CID 141496393

IUPAC1,3-dichlorobenzene;2,4-dichlorophenol
SMILESClc1cccc(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.C6H4Cl2/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-3-6(8)4-5/h1-3,9H;1-4H
InChIKeyGKZMUUJTQDMRPQ-UHFFFAOYSA-N
MW310.01 g/mol
LogP5.69
Rot. Bonds

About 1,3-dichlorobenzene;2,4-dichlorophenol

1,3-dichlorobenzene;2,4-dichlorophenol (PubChem CID 141496393) has the molecular formula C12H8Cl4O and a molecular weight of 310.01 g/mol. Its IUPAC name is 1,3-dichlorobenzene;2,4-dichlorophenol.

Molecular Properties

Compound Name1,3-dichlorobenzene;2,4-dichlorophenol
PubChem CID141496393
Molecular FormulaC12H8Cl4O
Molecular Weight310.01 g/mol
Exact Mass307.93
IUPAC Name1,3-dichlorobenzene;2,4-dichlorophenol
SMILESClc1cccc(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.C6H4Cl2/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-3-6(8)4-5/h1-3,9H;1-4H
InChIKeyGKZMUUJTQDMRPQ-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.01
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichlorophenol;phenol
CID 67451432
1,3-dichlorobenzene;sulfanol
CID 174381890
2,4-dichlorophenol;2-(2-hydroxyethylamino)ethanol
CID 70614272
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
sodium;1,3-dichlorobenzene;hydride
CID 175271520
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
CID 167660062
CID 131883434
CID 131883434
1,3-dichlorobenzene;guanidine
CID 174959611

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;2,4-dichlorophenol?
The IUPAC name of 1,3-dichlorobenzene;2,4-dichlorophenol (CID 141496393) is 1,3-dichlorobenzene;2,4-dichlorophenol.
What is the SMILES notation for 1,3-dichlorobenzene;2,4-dichlorophenol?
The canonical SMILES for 1,3-dichlorobenzene;2,4-dichlorophenol is Clc1cccc(Cl)c1.Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1,3-dichlorobenzene;2,4-dichlorophenol?
The InChIKey is GKZMUUJTQDMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O.C6H4Cl2/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-3-6(8)4-5/h1-3,9H;1-4H.
What are the key properties of 1,3-dichlorobenzene;2,4-dichlorophenol?
1,3-dichlorobenzene;2,4-dichlorophenol has a molecular weight of 310.01 g/mol, XLogP of 5.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;2,4-dichlorophenol is sourced from PubChem (CID 141496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).