(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

C19H12Cl2O2 — CID 5349050

IUPAC(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H12Cl2O2/c20-15-10-14(11-16(21)12-15)19-9-7-17(23-19)6-8-18(22)13-4-2-1-3-5-13/h1-12H/b8-6+
InChIKeyRHTQNMZZPACPJI-SOFGYWHQSA-N
MW343.21 g/mol
LogP6.15
Rot. Bonds4

About (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one (PubChem CID 5349050) has the molecular formula C19H12Cl2O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
PubChem CID5349050
Molecular FormulaC19H12Cl2O2
Molecular Weight343.21 g/mol
Exact Mass342.02
IUPAC Name(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H12Cl2O2/c20-15-10-14(11-16(21)12-15)19-9-7-17(23-19)6-8-18(22)13-4-2-1-3-5-13/h1-12H/b8-6+
InChIKeyRHTQNMZZPACPJI-SOFGYWHQSA-N
XLogP6.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
CID 163171437
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide
CID 18830572
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
ethyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50887305
benzyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50885793

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one (CID 5349050) is (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
The InChIKey is RHTQNMZZPACPJI-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H12Cl2O2/c20-15-10-14(11-16(21)12-15)19-9-7-17(23-19)6-8-18(22)13-4-2-1-3-5-13/h1-12H/b8-6+.
What are the key properties of (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one?
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one has a molecular weight of 343.21 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5349050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).