2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran

C21H16O — CID 166880404

IUPAC2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran
SMILESC=Cc1cc2c(cc1/C=C\C)oc1cc3ccccc3cc12
InChIInChI=1S/C21H16O/c1-3-7-15-12-20-18(10-14(15)4-2)19-11-16-8-5-6-9-17(16)13-21(19)22-20/h3-13H,2H2,1H3/b7-3-
InChIKeyWUPCCGDBAVKKEM-CLTKARDFSA-N
MW284.36 g/mol
LogP6.42
Rot. Bonds2

About 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran

2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran (PubChem CID 166880404) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran
PubChem CID166880404
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran
SMILESC=Cc1cc2c(cc1/C=C\C)oc1cc3ccccc3cc12
InChIInChI=1S/C21H16O/c1-3-7-15-12-20-18(10-14(15)4-2)19-11-16-8-5-6-9-17(16)13-21(19)22-20/h3-13H,2H2,1H3/b7-3-
InChIKeyWUPCCGDBAVKKEM-CLTKARDFSA-N
XLogP6.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran (CID 166880404) is 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran is C=Cc1cc2c(cc1/C=C\C)oc1cc3ccccc3cc12.
What is the InChIKey of 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is WUPCCGDBAVKKEM-CLTKARDFSA-N. The full InChI is InChI=1S/C21H16O/c1-3-7-15-12-20-18(10-14(15)4-2)19-11-16-8-5-6-9-17(16)13-21(19)22-20/h3-13H,2H2,1H3/b7-3-.
What are the key properties of 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran?
2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 284.36 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 166880404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).