(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one

C14H10Cl2O2 — CID 50884913

IUPAC(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H10Cl2O2/c1-9(17)2-4-11-5-7-14(18-11)12-6-3-10(15)8-13(12)16/h2-8H,1H3/b4-2+
InChIKeyFMUMSZWKJUETLP-DUXPYHPUSA-N
MW281.14 g/mol
LogP4.86
Rot. Bonds3

About (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one

(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one (PubChem CID 50884913) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
PubChem CID50884913
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H10Cl2O2/c1-9(17)2-4-11-5-7-14(18-11)12-6-3-10(15)8-13(12)16/h2-8H,1H3/b4-2+
InChIKeyFMUMSZWKJUETLP-DUXPYHPUSA-N
XLogP4.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.86
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

dimethyl 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 24780934
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839856
(E)-3-[5-(2-bromo-4-chlorophenyl)furan-2-yl]prop-2-enoyl chloride
CID 28694182
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 5014101
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 6247958
3-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686262
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363916
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363914
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one?
The IUPAC name of (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one (CID 50884913) is (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one?
The canonical SMILES for (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one is CC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one?
The InChIKey is FMUMSZWKJUETLP-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9(17)2-4-11-5-7-14(18-11)12-6-3-10(15)8-13(12)16/h2-8H,1H3/b4-2+.
What are the key properties of (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one?
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one has a molecular weight of 281.14 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one is sourced from PubChem (CID 50884913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).