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

C15H14Cl2O2 — CID 25023959

IUPAC2-(2,4-dichlorophenoxy)-5-propylphenol
SMILESCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3
InChIKeyILBQDZVPNAVUMD-UHFFFAOYSA-N
MW297.18 g/mol
LogP5.44
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-5-propylphenol (PubChem CID 25023959) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-propylphenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-propylphenol
PubChem CID25023959
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name2-(2,4-dichlorophenoxy)-5-propylphenol
SMILESCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3
InChIKeyILBQDZVPNAVUMD-UHFFFAOYSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triclosan
CID 5564
5-Ethyl-2-phenoxyphenol
CID 5274974
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-propylphenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-propylphenol (CID 25023959) is 2-(2,4-dichlorophenoxy)-5-propylphenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-propylphenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-propylphenol is CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-propylphenol?
The InChIKey is ILBQDZVPNAVUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-propylphenol?
2-(2,4-dichlorophenoxy)-5-propylphenol has a molecular weight of 297.18 g/mol, XLogP of 5.44, 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-propylphenol is sourced from PubChem (CID 25023959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).