6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile

C18H10ClNO2 — CID 52918205

IUPAC6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C18H10ClNO2/c19-13-7-9-17-15(10-13)14(16(11-20)18(21)22-17)8-6-12-4-2-1-3-5-12/h1-10H/b8-6+
InChIKeyFNTZMFFTPXXIIO-SOFGYWHQSA-N
MW307.74 g/mol
LogP4.49
Rot. Bonds2

About 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile

6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile (PubChem CID 52918205) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile
PubChem CID52918205
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C18H10ClNO2/c19-13-7-9-17-15(10-13)14(16(11-20)18(21)22-17)8-6-12-4-2-1-3-5-12/h1-10H/b8-6+
InChIKeyFNTZMFFTPXXIIO-SOFGYWHQSA-N
XLogP4.49
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile?
The IUPAC name of 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile (CID 52918205) is 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile?
The canonical SMILES for 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile is N#Cc1c(/C=C/c2ccccc2)c2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile?
The InChIKey is FNTZMFFTPXXIIO-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-13-7-9-17-15(10-13)14(16(11-20)18(21)22-17)8-6-12-4-2-1-3-5-12/h1-10H/b8-6+.
What are the key properties of 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile?
6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile has a molecular weight of 307.74 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-4-[(E)-2-phenylethenyl]chromene-3-carbonitrile is sourced from PubChem (CID 52918205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).