(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene

C18H15ClO — CID 57397605

IUPAC(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
SMILESClc1ccc2c(c1)C/C(=C/C=C/c1ccccc1)CO2
InChIInChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b7-4+,15-8-
InChIKeyJULHYHKYJADNAQ-GVEAZFNLSA-N
MW282.77 g/mol
LogP4.91
Rot. Bonds2

About (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene

(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene (PubChem CID 57397605) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
PubChem CID57397605
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
SMILESClc1ccc2c(c1)C/C(=C/C=C/c1ccccc1)CO2
InChIInChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b7-4+,15-8-
InChIKeyJULHYHKYJADNAQ-GVEAZFNLSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The IUPAC name of (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene (CID 57397605) is (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene.
What is the SMILES notation for (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The canonical SMILES for (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene is Clc1ccc2c(c1)C/C(=C/C=C/c1ccccc1)CO2.
What is the InChIKey of (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
The InChIKey is JULHYHKYJADNAQ-GVEAZFNLSA-N. The full InChI is InChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b7-4+,15-8-.
What are the key properties of (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene?
(3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene has a molecular weight of 282.77 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene is sourced from PubChem (CID 57397605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).