3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one

C16H14O2 — CID 102019366

IUPAC3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one
SMILESC=Cc1coc2c1C(C)(C)c1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-4-10-9-18-15-13(10)16(2,3)12-8-6-5-7-11(12)14(15)17/h4-9H,1H2,2-3H3
InChIKeyFQPVKSIDMHTACW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.79
Rot. Bonds1

About 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one

3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one (PubChem CID 102019366) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one.

Molecular Properties

Compound Name3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one
PubChem CID102019366
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one
SMILESC=Cc1coc2c1C(C)(C)c1ccccc1C2=O
InChIInChI=1S/C16H14O2/c1-4-10-9-18-15-13(10)16(2,3)12-8-6-5-7-11(12)14(15)17/h4-9H,1H2,2-3H3
InChIKeyFQPVKSIDMHTACW-UHFFFAOYSA-N
XLogP3.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione
CID 102432288
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine
CID 129095490
5-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carbaldehyde
CID 86149483
2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one
CID 142288165
1,9-dimethylfluorene-9-carbaldehyde
CID 173198715
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
(4S)-4-hydroperoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
CID 162952223
(4R)-4-hydroperoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
CID 162952222
CID 132991801
CID 132991801

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one?
The IUPAC name of 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one (CID 102019366) is 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one.
What is the SMILES notation for 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one?
The canonical SMILES for 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one is C=Cc1coc2c1C(C)(C)c1ccccc1C2=O.
What is the InChIKey of 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one?
The InChIKey is FQPVKSIDMHTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-4-10-9-18-15-13(10)16(2,3)12-8-6-5-7-11(12)14(15)17/h4-9H,1H2,2-3H3.
What are the key properties of 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one?
3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one has a molecular weight of 238.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,4-dimethylbenzo[f][1]benzofuran-9-one is sourced from PubChem (CID 102019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).