2-[(E)-2-phenylethenyl]chromen-4-one

C17H12O2 — CID 754332

IUPAC2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H12O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKeyLSTAHPMLLDYWKN-ZHACJKMWSA-N
MW248.28 g/mol
LogP3.96
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]chromen-4-one

2-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 754332) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID754332
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H12O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKeyLSTAHPMLLDYWKN-ZHACJKMWSA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]chromen-4-one (CID 754332) is 2-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]chromen-4-one is O=c1cc(/C=C/c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is LSTAHPMLLDYWKN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H12O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]chromen-4-one?
2-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 248.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 754332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).