(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene

C16H13ClO — CID 45268973

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
SMILESClc1ccc(/C=C2\COc3ccccc3C2)cc1
InChIInChI=1S/C16H13ClO/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-9H,10-11H2/b13-9-
InChIKeyJZGQJPNJCFPGQT-LCYFTJDESA-N
MW256.73 g/mol
LogP4.36
Rot. Bonds1

About (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene

(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene (PubChem CID 45268973) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
PubChem CID45268973
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
SMILESClc1ccc(/C=C2\COc3ccccc3C2)cc1
InChIInChI=1S/C16H13ClO/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-9H,10-11H2/b13-9-
InChIKeyJZGQJPNJCFPGQT-LCYFTJDESA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene (CID 45268973) is (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene is Clc1ccc(/C=C2\COc3ccccc3C2)cc1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The InChIKey is JZGQJPNJCFPGQT-LCYFTJDESA-N. The full InChI is InChI=1S/C16H13ClO/c17-15-7-5-12(6-8-15)9-13-10-14-3-1-2-4-16(14)18-11-13/h1-9H,10-11H2/b13-9-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene?
(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene has a molecular weight of 256.73 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene is sourced from PubChem (CID 45268973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).