3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one

C21H16O2 — CID 122377823

IUPAC3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one
SMILESCC1(/C=C/c2ccccc2)OC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C21H16O2/c1-21(14-13-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)19(18)20(22)23-21/h2-14H,1H3/b14-13+
InChIKeyMVILGMNZLFIZEP-BUHFOSPRSA-N
MW300.36 g/mol
LogP4.94
Rot. Bonds2

About 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one

3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one (PubChem CID 122377823) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one.

Molecular Properties

Compound Name3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one
PubChem CID122377823
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one
SMILESCC1(/C=C/c2ccccc2)OC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C21H16O2/c1-21(14-13-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)19(18)20(22)23-21/h2-14H,1H3/b14-13+
InChIKeyMVILGMNZLFIZEP-BUHFOSPRSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
CID 177393506
12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
3-(5-methylthiophen-2-yl)-3-[(E)-2-phenylethenyl]benzo[f]chromene
CID 19733874
(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
CID 102165607
4-iodo-5,5-dimethyl-3-[(E)-3-phenylprop-2-enyl]furan-2-one
CID 45276563
3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
CID 24788889
1-methylnaphthalene;stilbene
CID 173370087
15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
CID 68570092
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one?
The IUPAC name of 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one (CID 122377823) is 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one.
What is the SMILES notation for 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one?
The canonical SMILES for 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one is CC1(/C=C/c2ccccc2)OC(=O)c2c1ccc1ccccc21.
What is the InChIKey of 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one?
The InChIKey is MVILGMNZLFIZEP-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H16O2/c1-21(14-13-15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)19(18)20(22)23-21/h2-14H,1H3/b14-13+.
What are the key properties of 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one?
3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(E)-2-phenylethenyl]benzo[g][2]benzofuran-1-one is sourced from PubChem (CID 122377823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).