3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one

C20H18O2 — CID 59137742

IUPAC3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one
SMILESC=Cc1ccc(C=C)c(C2C(=O)Oc3c(C)cc(C)cc32)c1
InChIInChI=1S/C20H18O2/c1-5-14-7-8-15(6-2)16(11-14)18-17-10-12(3)9-13(4)19(17)22-20(18)21/h5-11,18H,1-2H2,3-4H3
InChIKeyDHETZTHUUIXCQP-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.64
Rot. Bonds3

About 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one

3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one (PubChem CID 59137742) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one
PubChem CID59137742
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one
SMILESC=Cc1ccc(C=C)c(C2C(=O)Oc3c(C)cc(C)cc32)c1
InChIInChI=1S/C20H18O2/c1-5-14-7-8-15(6-2)16(11-14)18-17-10-12(3)9-13(4)19(17)22-20(18)21/h5-11,18H,1-2H2,3-4H3
InChIKeyDHETZTHUUIXCQP-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one?
The IUPAC name of 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one (CID 59137742) is 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one?
The canonical SMILES for 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one is C=Cc1ccc(C=C)c(C2C(=O)Oc3c(C)cc(C)cc32)c1.
What is the InChIKey of 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one?
The InChIKey is DHETZTHUUIXCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-5-14-7-8-15(6-2)16(11-14)18-17-10-12(3)9-13(4)19(17)22-20(18)21/h5-11,18H,1-2H2,3-4H3.
What are the key properties of 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one?
3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one has a molecular weight of 290.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-bis(ethenyl)phenyl]-5,7-dimethyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 59137742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).