(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one

C17H16O4 — CID 25141439

IUPAC(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C17H16O4/c1-12-3-7-16(20-12)9-5-14(18)11-15(19)6-10-17-8-4-13(2)21-17/h3-11,18H,1-2H3/b9-5+,10-6+,14-11-
InChIKeyLZBKLMJFWLHABZ-FBYAKURVSA-N
MW284.31 g/mol
LogP4.23
Rot. Bonds5

About (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one

(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one (PubChem CID 25141439) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one.

Molecular Properties

Compound Name(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one
PubChem CID25141439
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C17H16O4/c1-12-3-7-16(20-12)9-5-14(18)11-15(19)6-10-17-8-4-13(2)21-17/h3-11,18H,1-2H3/b9-5+,10-6+,14-11-
InChIKeyLZBKLMJFWLHABZ-FBYAKURVSA-N
XLogP4.23
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one?
The IUPAC name of (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one (CID 25141439) is (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one.
What is the SMILES notation for (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one?
The canonical SMILES for (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one is Cc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(C)o2)o1.
What is the InChIKey of (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one?
The InChIKey is LZBKLMJFWLHABZ-FBYAKURVSA-N. The full InChI is InChI=1S/C17H16O4/c1-12-3-7-16(20-12)9-5-14(18)11-15(19)6-10-17-8-4-13(2)21-17/h3-11,18H,1-2H3/b9-5+,10-6+,14-11-.
What are the key properties of (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one?
(1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one has a molecular weight of 284.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z,6E)-5-hydroxy-1,7-bis(5-methylfuran-2-yl)hepta-1,4,6-trien-3-one is sourced from PubChem (CID 25141439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).