1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one

C15H12Cl2O3 — CID 71733548

IUPAC1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-12(18)9-3-5-15(13(19)7-9)20-14-6-4-10(16)8-11(14)17/h3-8,19H,2H2,1H3
InChIKeyPTLBMMWXJWGLJF-UHFFFAOYSA-N
MW311.16 g/mol
LogP5.08
Rot. Bonds4

About 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one

1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one (PubChem CID 71733548) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
PubChem CID71733548
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-12(18)9-3-5-15(13(19)7-9)20-14-6-4-10(16)8-11(14)17/h3-8,19H,2H2,1H3
InChIKeyPTLBMMWXJWGLJF-UHFFFAOYSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.16
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 87201530
5-chloro-2-(2,4-dichlorophenoxy)phenol;phosphoric acid
CID 66601504
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
1-[3-chloro-4-(2,5-dichlorophenoxy)phenyl]ethanone
CID 63533407

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one (CID 71733548) is 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one?
The InChIKey is PTLBMMWXJWGLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-2-12(18)9-3-5-15(13(19)7-9)20-14-6-4-10(16)8-11(14)17/h3-8,19H,2H2,1H3.
What are the key properties of 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one?
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one has a molecular weight of 311.16 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one is sourced from PubChem (CID 71733548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).