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

C16H16Cl2O2 — CID 25023960

IUPAC5-butyl-2-(2,4-dichlorophenoxy)phenol
SMILESCCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3
InChIKeyYJSDMDYNCMZAED-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.83
Rot. Bonds5

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

5-butyl-2-(2,4-dichlorophenoxy)phenol (PubChem CID 25023960) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-butyl-2-(2,4-dichlorophenoxy)phenol.

Molecular Properties

Compound Name5-butyl-2-(2,4-dichlorophenoxy)phenol
PubChem CID25023960
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name5-butyl-2-(2,4-dichlorophenoxy)phenol
SMILESCCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3
InChIKeyYJSDMDYNCMZAED-UHFFFAOYSA-N
XLogP5.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
5-chloro-2-(2,4-dichlorophenoxy)phenol;1-hexadecylpyridin-1-ium;chloride
CID 67467806
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
CID 71733465
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
CID 176541548
2-(4-butylphenoxy)-4-chloroaniline
CID 115492256

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2,4-dichlorophenoxy)phenol?
The IUPAC name of 5-butyl-2-(2,4-dichlorophenoxy)phenol (CID 25023960) is 5-butyl-2-(2,4-dichlorophenoxy)phenol.
What is the SMILES notation for 5-butyl-2-(2,4-dichlorophenoxy)phenol?
The canonical SMILES for 5-butyl-2-(2,4-dichlorophenoxy)phenol is CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 5-butyl-2-(2,4-dichlorophenoxy)phenol?
The InChIKey is YJSDMDYNCMZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-3-4-11-5-7-16(14(19)9-11)20-15-8-6-12(17)10-13(15)18/h5-10,19H,2-4H2,1H3.
What are the key properties of 5-butyl-2-(2,4-dichlorophenoxy)phenol?
5-butyl-2-(2,4-dichlorophenoxy)phenol has a molecular weight of 311.21 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2,4-dichlorophenoxy)phenol is sourced from PubChem (CID 25023960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).