benzo[e][1]benzofuran-5-carbaldehyde

C13H8O2 — CID 150213742

IUPACbenzo[e][1]benzofuran-5-carbaldehyde
SMILESO=Cc1cc2occc2c2ccccc12
InChIInChI=1S/C13H8O2/c14-8-9-7-13-12(5-6-15-13)11-4-2-1-3-10(9)11/h1-8H
InChIKeyFSANABPKVYBTFK-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.40
Rot. Bonds1

About benzo[e][1]benzofuran-5-carbaldehyde

benzo[e][1]benzofuran-5-carbaldehyde (PubChem CID 150213742) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is benzo[e][1]benzofuran-5-carbaldehyde.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-5-carbaldehyde
PubChem CID150213742
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Namebenzo[e][1]benzofuran-5-carbaldehyde
SMILESO=Cc1cc2occc2c2ccccc12
InChIInChI=1S/C13H8O2/c14-8-9-7-13-12(5-6-15-13)11-4-2-1-3-10(9)11/h1-8H
InChIKeyFSANABPKVYBTFK-UHFFFAOYSA-N
XLogP3.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphtho[1,2-g][1]benzofuran-11-carbaldehyde
CID 14770244
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
4-amino-1-benzofuran-5-carbaldehyde
CID 82415504
5-fluoro-1-benzofuran-6-carbaldehyde
CID 19611664
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
phenanthrene-2,3-dicarbaldehyde
CID 10466547
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
CID 82374430
(3-formyldibenzofuran-4-yl)boronic acid
CID 142742375
3-chloronaphthalene-1-carbaldehyde
CID 18673614
azane;chromen-4-one
CID 175189895
2-amino-4-formylnaphthalene-1-carboxylic acid
CID 173257740
chrysene-1,2,3-tricarbaldehyde
CID 141144423

Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-5-carbaldehyde?
The IUPAC name of benzo[e][1]benzofuran-5-carbaldehyde (CID 150213742) is benzo[e][1]benzofuran-5-carbaldehyde.
What is the SMILES notation for benzo[e][1]benzofuran-5-carbaldehyde?
The canonical SMILES for benzo[e][1]benzofuran-5-carbaldehyde is O=Cc1cc2occc2c2ccccc12.
What is the InChIKey of benzo[e][1]benzofuran-5-carbaldehyde?
The InChIKey is FSANABPKVYBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-8-9-7-13-12(5-6-15-13)11-4-2-1-3-10(9)11/h1-8H.
What are the key properties of benzo[e][1]benzofuran-5-carbaldehyde?
benzo[e][1]benzofuran-5-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-5-carbaldehyde is sourced from PubChem (CID 150213742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).