(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one

C19H12Cl2O — CID 5378365

IUPAC(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H12Cl2O/c20-17-9-7-14(18(21)12-17)8-10-19(22)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H/b10-8+
InChIKeyLKRCMMSGFQSAPC-CSKARUKUSA-N
MW327.21 g/mol
LogP6.04
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 5378365) has the molecular formula C19H12Cl2O and a molecular weight of 327.21 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID5378365
Molecular FormulaC19H12Cl2O
Molecular Weight327.21 g/mol
Exact Mass326.03
IUPAC Name(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H12Cl2O/c20-17-9-7-14(18(21)12-17)8-10-19(22)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H/b10-8+
InChIKeyLKRCMMSGFQSAPC-CSKARUKUSA-N
XLogP6.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 5378365) is (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is LKRCMMSGFQSAPC-CSKARUKUSA-N. The full InChI is InChI=1S/C19H12Cl2O/c20-17-9-7-14(18(21)12-17)8-10-19(22)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H/b10-8+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 327.21 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5378365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).