2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol

C18H12Cl6O3 — CID 160811430

IUPAC2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
SMILESOc1cc(Cl)ccc1Cl.Oc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/3C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-4(9)3-6(5)8;7-4-1-2-5(8)6(9)3-4/h3*1-3,9H
InChIKeySEIQLMSRGNZNRM-UHFFFAOYSA-N
MW489.01 g/mol
LogP8.10
Rot. Bonds

About 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol

2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol (PubChem CID 160811430) has the molecular formula C18H12Cl6O3 and a molecular weight of 489.01 g/mol. Its IUPAC name is 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol.

Molecular Properties

Compound Name2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
PubChem CID160811430
Molecular FormulaC18H12Cl6O3
Molecular Weight489.01 g/mol
Exact Mass485.89
IUPAC Name2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
SMILESOc1cc(Cl)ccc1Cl.Oc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)cc1Cl
InChIInChI=1S/3C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-4(9)3-6(5)8;7-4-1-2-5(8)6(9)3-4/h3*1-3,9H
InChIKeySEIQLMSRGNZNRM-UHFFFAOYSA-N
XLogP8.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.01
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131883434
CID 131883434
4-chlorobenzene-1,3-diol
CID 1731
bis(3,4-dichlorophenol);zirconium
CID 161397670
2,4-dichlorophenol;phenol
CID 67451432
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
methane;1,2,4-trichlorobenzene
CID 157397102
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
2-chloro-4-(2-chloro-5-hydroxyphenyl)phenol
CID 53221367
2,5-dichlorophenol;2-iodophenol
CID 70439012
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol?
The IUPAC name of 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol (CID 160811430) is 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol.
What is the SMILES notation for 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol?
The canonical SMILES for 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol is Oc1cc(Cl)ccc1Cl.Oc1ccc(Cl)c(Cl)c1.Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol?
The InChIKey is SEIQLMSRGNZNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4;7-5-2-1-4(9)3-6(5)8;7-4-1-2-5(8)6(9)3-4/h3*1-3,9H.
What are the key properties of 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol?
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol has a molecular weight of 489.01 g/mol, XLogP of 8.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol is sourced from PubChem (CID 160811430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).