(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one

C15H12O2 — CID 92904073

IUPAC(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccco1
InChIInChI=1S/C15H12O2/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-12H/b9-8-,11-10+
InChIKeyRJNMUTDRDATJLP-QNRZBPGKSA-N
MW224.26 g/mol
LogP3.58
Rot. Bonds4

About (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one

(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one (PubChem CID 92904073) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
PubChem CID92904073
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccco1
InChIInChI=1S/C15H12O2/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-12H/b9-8-,11-10+
InChIKeyRJNMUTDRDATJLP-QNRZBPGKSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.58
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

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
2-[(E)-2-phenylethenyl]furan
CID 642118
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
CID 59090942
CID 59090942
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one
CID 151696386

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one (CID 92904073) is (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one is O=C(/C=C\c1ccccc1)/C=C/c1ccco1.
What is the InChIKey of (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one?
The InChIKey is RJNMUTDRDATJLP-QNRZBPGKSA-N. The full InChI is InChI=1S/C15H12O2/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-12H/b9-8-,11-10+.
What are the key properties of (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one?
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one has a molecular weight of 224.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 92904073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).