3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one

C16H14O2 — CID 56640290

IUPAC3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESC=Cc1cccc(-c2coc3c2C(=O)CCC3)c1
InChIInChI=1S/C16H14O2/c1-2-11-5-3-6-12(9-11)13-10-18-15-8-4-7-14(17)16(13)15/h2-3,5-6,9-10H,1,4,7-8H2
InChIKeyPCINFRVVNUXPFQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.11
Rot. Bonds2

About 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one

3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 56640290) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID56640290
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESC=Cc1cccc(-c2coc3c2C(=O)CCC3)c1
InChIInChI=1S/C16H14O2/c1-2-11-5-3-6-12(9-11)13-10-18-15-8-4-7-14(17)16(13)15/h2-3,5-6,9-10H,1,4,7-8H2
InChIKeyPCINFRVVNUXPFQ-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tanshinone Iia
CID 164676
Tanshinone I
CID 114917
Napabucasin
CID 10331844
1-Benzofuran-5-carbaldehyde
CID 2773875
Tanshinone Iib
CID 318797
Halenaquinone
CID 370346
Methuyl tanshinonate
CID 624381
Methyl Tanshinonate
CID 14610613
Naphtho(2,3-b)furan-4,9-dione
CID 79740
Benzo[g][1]benzofuran-4,5-dione
CID 598522
2-Isopropenylnaphtho[2,3-b]furan-4,9-dione
CID 637335
Curzerenone
CID 3081930

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one (CID 56640290) is 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one is C=Cc1cccc(-c2coc3c2C(=O)CCC3)c1.
What is the InChIKey of 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is PCINFRVVNUXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-11-5-3-6-12(9-11)13-10-18-15-8-4-7-14(17)16(13)15/h2-3,5-6,9-10H,1,4,7-8H2.
What are the key properties of 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one?
3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 238.29 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylphenyl)-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 56640290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).