[4-(2,4-dichlorophenoxy)phenyl] propanoate

C15H12Cl2O3 — CID 67553768

IUPAC[4-(2,4-dichlorophenoxy)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c1-2-15(18)20-12-6-4-11(5-7-12)19-14-8-3-10(16)9-13(14)17/h3-9H,2H2,1H3
InChIKeyGUDHFHRTLPWDFL-UHFFFAOYSA-N
MW311.16 g/mol
LogP5.10
Rot. Bonds4

About [4-(2,4-dichlorophenoxy)phenyl] propanoate

[4-(2,4-dichlorophenoxy)phenyl] propanoate (PubChem CID 67553768) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)phenyl] propanoate.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)phenyl] propanoate
PubChem CID67553768
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name[4-(2,4-dichlorophenoxy)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c1-2-15(18)20-12-6-4-11(5-7-12)19-14-8-3-10(16)9-13(14)17/h3-9H,2H2,1H3
InChIKeyGUDHFHRTLPWDFL-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.16
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
CID 57098621
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
(5-chloro-2-methylphenyl) propanoate
CID 131155608
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
CID 7961913
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)phenyl] propanoate?
The IUPAC name of [4-(2,4-dichlorophenoxy)phenyl] propanoate (CID 67553768) is [4-(2,4-dichlorophenoxy)phenyl] propanoate.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)phenyl] propanoate?
The canonical SMILES for [4-(2,4-dichlorophenoxy)phenyl] propanoate is CCC(=O)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-(2,4-dichlorophenoxy)phenyl] propanoate?
The InChIKey is GUDHFHRTLPWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-2-15(18)20-12-6-4-11(5-7-12)19-14-8-3-10(16)9-13(14)17/h3-9H,2H2,1H3.
What are the key properties of [4-(2,4-dichlorophenoxy)phenyl] propanoate?
[4-(2,4-dichlorophenoxy)phenyl] propanoate has a molecular weight of 311.16 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)phenyl] propanoate is sourced from PubChem (CID 67553768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).