1-methylbenzo[e][1]benzofuran

C13H10O — CID 13085655

IUPAC1-methylbenzo[e][1]benzofuran
SMILESCc1coc2ccc3ccccc3c12
InChIInChI=1S/C13H10O/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12/h2-8H,1H3
InChIKeyWCXIYSNGVSMUKA-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.89
Rot. Bonds

About 1-methylbenzo[e][1]benzofuran

1-methylbenzo[e][1]benzofuran (PubChem CID 13085655) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-methylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1-methylbenzo[e][1]benzofuran
PubChem CID13085655
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name1-methylbenzo[e][1]benzofuran
SMILESCc1coc2ccc3ccccc3c12
InChIInChI=1S/C13H10O/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12/h2-8H,1H3
InChIKeyWCXIYSNGVSMUKA-UHFFFAOYSA-N
XLogP3.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzo[e][1]benzofuran?
The IUPAC name of 1-methylbenzo[e][1]benzofuran (CID 13085655) is 1-methylbenzo[e][1]benzofuran.
What is the SMILES notation for 1-methylbenzo[e][1]benzofuran?
The canonical SMILES for 1-methylbenzo[e][1]benzofuran is Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 1-methylbenzo[e][1]benzofuran?
The InChIKey is WCXIYSNGVSMUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-9-8-14-12-7-6-10-4-2-3-5-11(10)13(9)12/h2-8H,1H3.
What are the key properties of 1-methylbenzo[e][1]benzofuran?
1-methylbenzo[e][1]benzofuran has a molecular weight of 182.22 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzo[e][1]benzofuran is sourced from PubChem (CID 13085655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).