1-ethenyl-3-phenyl-1H-isochromene

C17H14O — CID 15488576

IUPAC1-ethenyl-3-phenyl-1H-isochromene
SMILESC=CC1OC(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C17H14O/c1-2-16-15-11-7-6-10-14(15)12-17(18-16)13-8-4-3-5-9-13/h2-12,16H,1H2
InChIKeyLWGFOYMLEWAPFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.44
Rot. Bonds2

About 1-ethenyl-3-phenyl-1H-isochromene

1-ethenyl-3-phenyl-1H-isochromene (PubChem CID 15488576) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-ethenyl-3-phenyl-1H-isochromene.

Molecular Properties

Compound Name1-ethenyl-3-phenyl-1H-isochromene
PubChem CID15488576
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name1-ethenyl-3-phenyl-1H-isochromene
SMILESC=CC1OC(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C17H14O/c1-2-16-15-11-7-6-10-14(15)12-17(18-16)13-8-4-3-5-9-13/h2-12,16H,1H2
InChIKeyLWGFOYMLEWAPFJ-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-phenyl-1H-isochromene?
The IUPAC name of 1-ethenyl-3-phenyl-1H-isochromene (CID 15488576) is 1-ethenyl-3-phenyl-1H-isochromene.
What is the SMILES notation for 1-ethenyl-3-phenyl-1H-isochromene?
The canonical SMILES for 1-ethenyl-3-phenyl-1H-isochromene is C=CC1OC(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 1-ethenyl-3-phenyl-1H-isochromene?
The InChIKey is LWGFOYMLEWAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-2-16-15-11-7-6-10-14(15)12-17(18-16)13-8-4-3-5-9-13/h2-12,16H,1H2.
What are the key properties of 1-ethenyl-3-phenyl-1H-isochromene?
1-ethenyl-3-phenyl-1H-isochromene has a molecular weight of 234.30 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-phenyl-1H-isochromene is sourced from PubChem (CID 15488576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).