prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate

C18H16Cl2O2 — CID 67853686

IUPACprop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate
SMILESC=CCOC(=O)CCc1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2O2/c1-2-11-22-18(21)10-8-13-5-3-4-6-15(13)14-7-9-16(19)17(20)12-14/h2-7,9,12H,1,8,10-11H2
InChIKeyOSIIAFQWHCPIOV-UHFFFAOYSA-N
MW335.23 g/mol
LogP5.32
Rot. Bonds6

About prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate

prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate (PubChem CID 67853686) has the molecular formula C18H16Cl2O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate
PubChem CID67853686
Molecular FormulaC18H16Cl2O2
Molecular Weight335.23 g/mol
Exact Mass334.05
IUPAC Nameprop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate
SMILESC=CCOC(=O)CCc1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2O2/c1-2-11-22-18(21)10-8-13-5-3-4-6-15(13)14-7-9-16(19)17(20)12-14/h2-7,9,12H,1,8,10-11H2
InChIKeyOSIIAFQWHCPIOV-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate?
The IUPAC name of prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate (CID 67853686) is prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate.
What is the SMILES notation for prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate?
The canonical SMILES for prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate is C=CCOC(=O)CCc1ccccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate?
The InChIKey is OSIIAFQWHCPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O2/c1-2-11-22-18(21)10-8-13-5-3-4-6-15(13)14-7-9-16(19)17(20)12-14/h2-7,9,12H,1,8,10-11H2.
What are the key properties of prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate?
prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate has a molecular weight of 335.23 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[2-(3,4-dichlorophenyl)phenyl]propanoate is sourced from PubChem (CID 67853686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).