(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione

C18H12O3 — CID 14703519

IUPAC(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H12O3/c19-17-14-10-4-5-12-16(14)21-18(20)15(17)11-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,15-11+
InChIKeyGUXLGBGRAKKFHL-AOLDMILESA-N
MW276.29 g/mol
LogP3.43
Rot. Bonds2

About (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione

(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione (PubChem CID 14703519) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
PubChem CID14703519
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H12O3/c19-17-14-10-4-5-12-16(14)21-18(20)15(17)11-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,15-11+
InChIKeyGUXLGBGRAKKFHL-AOLDMILESA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[[(2E,4Z)-5-oxo-2-(2-oxopropylidene)-4-[(Z)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione
CID 98559645
(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione
CID 738080
3-[(4-phenylpiperazin-1-yl)methylidene]chromene-2,4-dione
CID 4165268
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
ethane;(3E)-3-ethylidene-1-benzofuran-2-one
CID 143284519
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
3-propylidene-1-benzofuran-2-one
CID 141094787
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
CID 122182254

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione?
The IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione (CID 14703519) is (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione.
What is the SMILES notation for (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione?
The canonical SMILES for (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C\C=C\c1ccccc1.
What is the InChIKey of (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione?
The InChIKey is GUXLGBGRAKKFHL-AOLDMILESA-N. The full InChI is InChI=1S/C18H12O3/c19-17-14-10-4-5-12-16(14)21-18(20)15(17)11-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,15-11+.
What are the key properties of (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione?
(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione is sourced from PubChem (CID 14703519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).