5-chloro-2-(2,4-dichlorophenyl)phenol

C24H14Cl6O2 — CID 174783468

IUPAC5-chloro-2-(2,4-dichlorophenyl)phenol
SMILESOc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/2C12H7Cl3O/c2*13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h2*1-6,16H
InChIKeyLLFQIHJNZWMIQZ-UHFFFAOYSA-N
MW547.09 g/mol
LogP10.04
Rot. Bonds2

About 5-chloro-2-(2,4-dichlorophenyl)phenol

5-chloro-2-(2,4-dichlorophenyl)phenol (PubChem CID 174783468) has the molecular formula C24H14Cl6O2 and a molecular weight of 547.09 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenyl)phenol.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenyl)phenol
PubChem CID174783468
Molecular FormulaC24H14Cl6O2
Molecular Weight547.09 g/mol
Exact Mass543.91
IUPAC Name5-chloro-2-(2,4-dichlorophenyl)phenol
SMILESOc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/2C12H7Cl3O/c2*13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h2*1-6,16H
InChIKeyLLFQIHJNZWMIQZ-UHFFFAOYSA-N
XLogP10.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.09
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
CID 67248673
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
CID 131883434
CID 131883434
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932
5-chloro-2-(2,5-difluorophenyl)phenol
CID 146335926
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
CID 119005357
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)phenol?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)phenol (CID 174783468) is 5-chloro-2-(2,4-dichlorophenyl)phenol.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenyl)phenol?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenyl)phenol is Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenyl)phenol?
The InChIKey is LLFQIHJNZWMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H7Cl3O/c2*13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h2*1-6,16H.
What are the key properties of 5-chloro-2-(2,4-dichlorophenyl)phenol?
5-chloro-2-(2,4-dichlorophenyl)phenol has a molecular weight of 547.09 g/mol, XLogP of 10.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenyl)phenol is sourced from PubChem (CID 174783468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).