1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran

C17H14O — CID 134365271

IUPAC1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc3ccccc3c12
InChIInChI=1S/C17H14O/c1-3-7-15-13(4-2)17-14-9-6-5-8-12(14)10-11-16(17)18-15/h3-11H,2H2,1H3/b7-3-
InChIKeyODFOAGCRLMSAPE-CLTKARDFSA-N
MW234.30 g/mol
LogP5.26
Rot. Bonds2

About 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran

1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran (PubChem CID 134365271) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
PubChem CID134365271
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
SMILESC=Cc1c(/C=C\C)oc2ccc3ccccc3c12
InChIInChI=1S/C17H14O/c1-3-7-15-13(4-2)17-14-9-6-5-8-12(14)10-11-16(17)18-15/h3-11H,2H2,1H3/b7-3-
InChIKeyODFOAGCRLMSAPE-CLTKARDFSA-N
XLogP5.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.30
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran?
The IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran (CID 134365271) is 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran.
What is the SMILES notation for 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran?
The canonical SMILES for 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran is C=Cc1c(/C=C\C)oc2ccc3ccccc3c12.
What is the InChIKey of 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran?
The InChIKey is ODFOAGCRLMSAPE-CLTKARDFSA-N. The full InChI is InChI=1S/C17H14O/c1-3-7-15-13(4-2)17-14-9-6-5-8-12(14)10-11-16(17)18-15/h3-11H,2H2,1H3/b7-3-.
What are the key properties of 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran?
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran has a molecular weight of 234.30 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran is sourced from PubChem (CID 134365271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).