(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene

C18H16O — CID 57392390

IUPAC(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
SMILESC(/C=C/c1ccccc1)=C1/COc2ccccc2C1
InChIInChI=1S/C18H16O/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)19-14-16/h1-12H,13-14H2/b9-6+,16-10-
InChIKeyIETRAIQBAOPIHD-RKQKHZQPSA-N
MW248.33 g/mol
LogP4.26
Rot. Bonds2

About (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene

(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene (PubChem CID 57392390) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene.

Molecular Properties

Compound Name(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
PubChem CID57392390
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
SMILESC(/C=C/c1ccccc1)=C1/COc2ccccc2C1
InChIInChI=1S/C18H16O/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)19-14-16/h1-12H,13-14H2/b9-6+,16-10-
InChIKeyIETRAIQBAOPIHD-RKQKHZQPSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The IUPAC name of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene (CID 57392390) is (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene.
What is the SMILES notation for (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The canonical SMILES for (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene is C(/C=C/c1ccccc1)=C1/COc2ccccc2C1.
What is the InChIKey of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The InChIKey is IETRAIQBAOPIHD-RKQKHZQPSA-N. The full InChI is InChI=1S/C18H16O/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)19-14-16/h1-12H,13-14H2/b9-6+,16-10-.
What are the key properties of (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene has a molecular weight of 248.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene is sourced from PubChem (CID 57392390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).