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

C16H17Cl3O2 — CID 67248673

IUPAC5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
SMILESCCOCC.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O.C4H10O/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16;1-3-5-4-2/h1-6,16H;3-4H2,1-2H3
InChIKeyMEYCLKNXEOECNZ-UHFFFAOYSA-N
MW347.67 g/mol
LogP6.06
Rot. Bonds3

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

5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane (PubChem CID 67248673) has the molecular formula C16H17Cl3O2 and a molecular weight of 347.67 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
PubChem CID67248673
Molecular FormulaC16H17Cl3O2
Molecular Weight347.67 g/mol
Exact Mass346.03
IUPAC Name5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
SMILESCCOCC.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl3O.C4H10O/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16;1-3-5-4-2/h1-6,16H;3-4H2,1-2H3
InChIKeyMEYCLKNXEOECNZ-UHFFFAOYSA-N
XLogP6.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.67
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one
CID 139860095
CID 131883434
CID 131883434
1,2-dichlorobenzene;ethoxyethane
CID 68845412
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-(2,4-dichlorophenyl)-N-ethoxypropan-2-imine
CID 76787512
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane (CID 67248673) is 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane is CCOCC.Oc1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane?
The InChIKey is MEYCLKNXEOECNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O.C4H10O/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16;1-3-5-4-2/h1-6,16H;3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane?
5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane has a molecular weight of 347.67 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane is sourced from PubChem (CID 67248673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).