3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene

C17H13ClO — CID 52941811

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene
SMILESClc1ccc(/C=C/C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C17H13ClO/c18-16-9-7-13(8-10-16)5-6-14-11-15-3-1-2-4-17(15)19-12-14/h1-11H,12H2/b6-5+
InChIKeyIURRCXIHJAEGAB-AATRIKPKSA-N
MW268.74 g/mol
LogP4.83
Rot. Bonds2

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene

3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene (PubChem CID 52941811) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene
PubChem CID52941811
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene
SMILESClc1ccc(/C=C/C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C17H13ClO/c18-16-9-7-13(8-10-16)5-6-14-11-15-3-1-2-4-17(15)19-12-14/h1-11H,12H2/b6-5+
InChIKeyIURRCXIHJAEGAB-AATRIKPKSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene (CID 52941811) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene is Clc1ccc(/C=C/C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene?
The InChIKey is IURRCXIHJAEGAB-AATRIKPKSA-N. The full InChI is InChI=1S/C17H13ClO/c18-16-9-7-13(8-10-16)5-6-14-11-15-3-1-2-4-17(15)19-12-14/h1-11H,12H2/b6-5+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene?
3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene has a molecular weight of 268.74 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-2H-chromene is sourced from PubChem (CID 52941811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).