1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran

C24H14O2 — CID 12996521

IUPAC1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran
SMILESc1ccc2c(c1)ccc1occ(-c3coc4ccc5ccccc5c34)c12
InChIInChI=1S/C24H14O2/c1-3-7-17-15(5-1)9-11-21-23(17)19(13-25-21)20-14-26-22-12-10-16-6-2-4-8-18(16)24(20)22/h1-14H
InChIKeyOXKLMLFJTCOXIM-UHFFFAOYSA-N
MW334.37 g/mol
LogP7.15
Rot. Bonds1

About 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran

1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran (PubChem CID 12996521) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran
PubChem CID12996521
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran
SMILESc1ccc2c(c1)ccc1occ(-c3coc4ccc5ccccc5c34)c12
InChIInChI=1S/C24H14O2/c1-3-7-17-15(5-1)9-11-21-23(17)19(13-25-21)20-14-26-22-12-10-16-6-2-4-8-18(16)24(20)22/h1-14H
InChIKeyOXKLMLFJTCOXIM-UHFFFAOYSA-N
XLogP7.15
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(b)naphtho(2,3-d)furan
CID 71072
Lanceolatin B
CID 10978265
5-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one
CID 15232378
Pongol methyl ether
CID 636768
Pinnatin
CID 5320607
Dibenzo(b,d)furan-2-carboxaldehyde
CID 220843
Benzo(b)naphtho(1,2-d)furan
CID 268932
4-(4-Phenoxybutoxy)-5H-furo[3,2-g][1]benzopyran-5-one
CID 42631368
Naphtho[2,1-b]furan-1-yl-acetic acid
CID 1315810
3-(4-Methoxybenzoyl)naphtho[1,2-b]furan-4,5-dione
CID 1614226
(5,6-Dimethyl-benzofuran-3-yl)-acetic acid
CID 2113967
1-{6-[4-(5-Acetyl-4-methoxy-benzofuran-6-yloxymethyl)-benzyloxy]-4-methoxy-benzofuran-5-yl}-ethanone
CID 10128473

Frequently Asked Questions

What is the IUPAC name of 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran?
The IUPAC name of 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran (CID 12996521) is 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran.
What is the SMILES notation for 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran?
The canonical SMILES for 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran is c1ccc2c(c1)ccc1occ(-c3coc4ccc5ccccc5c34)c12.
What is the InChIKey of 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran?
The InChIKey is OXKLMLFJTCOXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c1-3-7-17-15(5-1)9-11-21-23(17)19(13-25-21)20-14-26-22-12-10-16-6-2-4-8-18(16)24(20)22/h1-14H.
What are the key properties of 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran?
1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran has a molecular weight of 334.37 g/mol, XLogP of 7.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran is sourced from PubChem (CID 12996521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).