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

C16H16Cl2O2 — CID 25023961

IUPAC2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3
InChIKeyZPZSZEVICIKUBD-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.69
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol (PubChem CID 25023961) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
PubChem CID25023961
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3
InChIKeyZPZSZEVICIKUBD-UHFFFAOYSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol (CID 25023961) is 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol is CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol?
The InChIKey is ZPZSZEVICIKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol?
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol has a molecular weight of 311.21 g/mol, XLogP of 5.69, 4 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-methylpropyl)phenol is sourced from PubChem (CID 25023961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).