(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one

C13H8Cl2O2 — CID 5466621

IUPAC(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+
InChIKeyJRNHEVUNNACLIL-GQCTYLIASA-N
MW267.11 g/mol
LogP4.48
Rot. Bonds3

About (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 5466621) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID5466621
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+
InChIKeyJRNHEVUNNACLIL-GQCTYLIASA-N
XLogP4.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 5466621) is (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is JRNHEVUNNACLIL-GQCTYLIASA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 267.11 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 5466621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).