4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one

C24H16O4 — CID 151696386

IUPAC4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one
SMILESO=C(C=Cc1ccc(-c2cc(=O)oc3ccccc23)cc1)C=Cc1ccco1
InChIInChI=1S/C24H16O4/c25-19(13-14-20-4-3-15-27-20)12-9-17-7-10-18(11-8-17)22-16-24(26)28-23-6-2-1-5-21(22)23/h1-16H
InChIKeyRDQPDKPZDJWSHV-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.35
Rot. Bonds5

About 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one

4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one (PubChem CID 151696386) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one.

Molecular Properties

Compound Name4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one
PubChem CID151696386
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one
SMILESO=C(C=Cc1ccc(-c2cc(=O)oc3ccccc23)cc1)C=Cc1ccco1
InChIInChI=1S/C24H16O4/c25-19(13-14-20-4-3-15-27-20)12-9-17-7-10-18(11-8-17)22-16-24(26)28-23-6-2-1-5-21(22)23/h1-16H
InChIKeyRDQPDKPZDJWSHV-UHFFFAOYSA-N
XLogP5.35
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
2-[(E)-2-(furan-2-yl)ethenyl]chromen-4-one
CID 10879170
(1E)-1-[5-(4-bromophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1352039
1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1106180
(E)-1-benzo[e][1]benzofuran-2-yl-3-(furan-2-yl)prop-2-en-1-one
CID 102303777
3-[(E)-2-(furan-2-yl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284966
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
CID 171138075
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one?
The IUPAC name of 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one (CID 151696386) is 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one.
What is the SMILES notation for 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one?
The canonical SMILES for 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one is O=C(C=Cc1ccc(-c2cc(=O)oc3ccccc23)cc1)C=Cc1ccco1.
What is the InChIKey of 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one?
The InChIKey is RDQPDKPZDJWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4/c25-19(13-14-20-4-3-15-27-20)12-9-17-7-10-18(11-8-17)22-16-24(26)28-23-6-2-1-5-21(22)23/h1-16H.
What are the key properties of 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one?
4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one has a molecular weight of 368.39 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(furan-2-yl)-3-oxopenta-1,4-dienyl]phenyl]chromen-2-one is sourced from PubChem (CID 151696386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).