2,4-dichlorophenol;phenol

C12H10Cl2O2 — CID 67451432

IUPAC2,4-dichlorophenol;phenol
SMILESOc1ccc(Cl)cc1Cl.Oc1ccccc1
InChIInChI=1S/C6H4Cl2O.C6H6O/c7-4-1-2-6(9)5(8)3-4;7-6-4-2-1-3-5-6/h1-3,9H;1-5,7H
InChIKeyZVDKAYAWVKTPBZ-UHFFFAOYSA-N
MW257.12 g/mol
LogP4.09
Rot. Bonds

About 2,4-dichlorophenol;phenol

2,4-dichlorophenol;phenol (PubChem CID 67451432) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,4-dichlorophenol;phenol.

Molecular Properties

Compound Name2,4-dichlorophenol;phenol
PubChem CID67451432
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name2,4-dichlorophenol;phenol
SMILESOc1ccc(Cl)cc1Cl.Oc1ccccc1
InChIInChI=1S/C6H4Cl2O.C6H6O/c7-4-1-2-6(9)5(8)3-4;7-6-4-2-1-3-5-6/h1-3,9H;1-5,7H
InChIKeyZVDKAYAWVKTPBZ-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
phenol;2,3,5-trichlorophenol
CID 172810083
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
chlorobenzene;phenol
CID 19771485
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
2,4-dichlorophenol;2-(2-hydroxyethylamino)ethanol
CID 70614272
benzene;hypochlorous acid;phenol
CID 174898371
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
azane;hypochlorous acid;phenol
CID 159093398
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorophenol;phenol?
The IUPAC name of 2,4-dichlorophenol;phenol (CID 67451432) is 2,4-dichlorophenol;phenol.
What is the SMILES notation for 2,4-dichlorophenol;phenol?
The canonical SMILES for 2,4-dichlorophenol;phenol is Oc1ccc(Cl)cc1Cl.Oc1ccccc1.
What is the InChIKey of 2,4-dichlorophenol;phenol?
The InChIKey is ZVDKAYAWVKTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O.C6H6O/c7-4-1-2-6(9)5(8)3-4;7-6-4-2-1-3-5-6/h1-3,9H;1-5,7H.
What are the key properties of 2,4-dichlorophenol;phenol?
2,4-dichlorophenol;phenol has a molecular weight of 257.12 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorophenol;phenol is sourced from PubChem (CID 67451432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).