(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one

C15H10Cl2O — CID 5388429

IUPAC(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+
InChIKeyHTFGZLAHCFWVMO-MDZDMXLPSA-N
MW277.15 g/mol
LogP4.89
Rot. Bonds3

About (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one

(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one (PubChem CID 5388429) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
PubChem CID5388429
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+
InChIKeyHTFGZLAHCFWVMO-MDZDMXLPSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.89
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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Related Compounds

1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
methyl 2-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9026728
(E)-3-(2-tert-butylsulfanylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 134104600
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
(E)-1-(2-chlorophenyl)but-2-en-1-one
CID 6158987
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one (CID 5388429) is (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one?
The InChIKey is HTFGZLAHCFWVMO-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H/b10-9+.
What are the key properties of (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one?
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one has a molecular weight of 277.15 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5388429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).