1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one

C19H12Cl2O3 — CID 1106180

IUPAC1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccco1)C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H12Cl2O3/c20-17-9-3-13(12-18(17)21)19-10-8-16(24-19)7-5-14(22)4-6-15-2-1-11-23-15/h1-12H
InChIKeyIDKMDDQNTBCOKI-UHFFFAOYSA-N
MW359.21 g/mol
LogP6.14
Rot. Bonds5

About 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one

1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one (PubChem CID 1106180) has the molecular formula C19H12Cl2O3 and a molecular weight of 359.21 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
PubChem CID1106180
Molecular FormulaC19H12Cl2O3
Molecular Weight359.21 g/mol
Exact Mass358.02
IUPAC Name1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccco1)C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H12Cl2O3/c20-17-9-3-13(12-18(17)21)19-10-8-16(24-19)7-5-14(22)4-6-15-2-1-11-23-15/h1-12H
InChIKeyIDKMDDQNTBCOKI-UHFFFAOYSA-N
XLogP6.14
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one with MolForge

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Related Compounds

(1E)-1-[5-(4-bromophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1352039
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287
5-[5-[(1E,4E)-5-[5-(3-carboxy-4-hydroxyphenyl)furan-2-yl]-3-oxopenta-1,4-dienyl]furan-2-yl]-2-hydroxybenzoic acid
CID 54590065
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenylpropane-1,3-dione
CID 3345300
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47016523
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]prop-1-en-2-amine
CID 70655963
1-(furan-2-yl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 2753271
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800300

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one (CID 1106180) is 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one is O=C(C=Cc1ccco1)C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one?
The InChIKey is IDKMDDQNTBCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O3/c20-17-9-3-13(12-18(17)21)19-10-8-16(24-19)7-5-14(22)4-6-15-2-1-11-23-15/h1-12H.
What are the key properties of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one?
1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one has a molecular weight of 359.21 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 1106180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).