2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol

C17H18Cl2O2 — CID 25023962

IUPAC2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
SMILESCCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3
InChIKeyLHFFQFRAOUEGEB-UHFFFAOYSA-N
MW325.24 g/mol
LogP6.08
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol

2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol (PubChem CID 25023962) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
PubChem CID25023962
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
SMILESCCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3
InChIKeyLHFFQFRAOUEGEB-UHFFFAOYSA-N
XLogP6.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-Dichlorophenoxy)-5-(hydroxymethyl)phenol
CID 23656595
2-(2-Chloranylphenoxy)-5-Hexyl-Phenol
CID 86302364
2-(2,4-Dichlorophenoxy)-5-methylphenol
CID 22947105
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
2-(2,4-Dichlorophenoxy)-5-(2-Phenylethyl)phenol
CID 16220128

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol (CID 25023962) is 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol is CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol?
The InChIKey is LHFFQFRAOUEGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol?
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol has a molecular weight of 325.24 g/mol, XLogP of 6.08, 5 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-(2-methylbutyl)phenol is sourced from PubChem (CID 25023962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).