2-(2,4-dichlorophenoxy)-5-methylphenol

C13H10Cl2O2 — CID 22947105

IUPAC2-(2,4-dichlorophenoxy)-5-methylphenol
SMILESCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3
InChIKeyFHTKTADYDYDEMS-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.80
Rot. Bonds2

About 2-(2,4-dichlorophenoxy)-5-methylphenol

2-(2,4-dichlorophenoxy)-5-methylphenol (PubChem CID 22947105) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-methylphenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-methylphenol
PubChem CID22947105
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name2-(2,4-dichlorophenoxy)-5-methylphenol
SMILESCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3
InChIKeyFHTKTADYDYDEMS-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triclosan
CID 5564
4-(2,4-Dichlorophenoxy)-3-hydroxybenzaldehyde
CID 23656594
2-(2,4-Dichlorophenoxy)-5-(hydroxymethyl)phenol
CID 23656595
2-(2-Chloranylphenoxy)-5-Hexyl-Phenol
CID 86302364
5-(Chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
4-(2,4-Dichlorophenoxy)-3-hydroxybenzonitrile
CID 25023955
2-(2,4-Dichlorophenoxy)-5-ethylphenol
CID 25023958
2-(2,4-Dichlorophenoxy)-5-(4-fluorophenyl)phenol
CID 25023968
2-(2-Chlorophenoxy)-5-ethyl-4-fluorophenol
CID 126961630
2-(2-Chlorophenoxy)-4-fluoro-5-hexylphenol
CID 126961635
4-(2,4-Dichlorophenoxy)-2'-Methylbiphenyl-3-Ol
CID 15942656
2-(2,4-Dichlorophenoxy)-5-(3-phenylpropyl)phenol
CID 16220126

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-methylphenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-methylphenol (CID 22947105) is 2-(2,4-dichlorophenoxy)-5-methylphenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-methylphenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-methylphenol is Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-methylphenol?
The InChIKey is FHTKTADYDYDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-methylphenol?
2-(2,4-dichlorophenoxy)-5-methylphenol has a molecular weight of 269.13 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-methylphenol is sourced from PubChem (CID 22947105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).