1,6-dimethylbenzo[e][1]benzofuran

C14H12O — CID 172538519

IUPAC1,6-dimethylbenzo[e][1]benzofuran
SMILESCc1cccc2c1ccc1occ(C)c12
InChIInChI=1S/C14H12O/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-8H,1-2H3
InChIKeyAOVRZXIBHADQBA-UHFFFAOYSA-N
MW196.25 g/mol
LogP4.20
Rot. Bonds

About 1,6-dimethylbenzo[e][1]benzofuran

1,6-dimethylbenzo[e][1]benzofuran (PubChem CID 172538519) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,6-dimethylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1,6-dimethylbenzo[e][1]benzofuran
PubChem CID172538519
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name1,6-dimethylbenzo[e][1]benzofuran
SMILESCc1cccc2c1ccc1occ(C)c12
InChIInChI=1S/C14H12O/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-8H,1-2H3
InChIKeyAOVRZXIBHADQBA-UHFFFAOYSA-N
XLogP4.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,6-dimethylbenzo[e][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
CID 119026131
1-methylbenzo[e][1]benzofuran
CID 13085655
1,5-dimethylnaphthalene
CID 162159355
6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
CID 10264769
(3,5-dimethyl-1-benzofuran-4-yl) acetate
CID 121007972
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
1,5,12-trimethyltriphenylene
CID 102264978
3-methyl-1-benzofuran-4-sulfonyl chloride
CID 83823871
4-amino-3-methyl-1-benzofuran-5-ol
CID 82415187
3,4,9-trimethylperylene
CID 59598979
ethane;1,2,5-trimethylnaphthalene
CID 142394206
3,9-dimethylbenzo[g][1]benzofuran
CID 172538502

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbenzo[e][1]benzofuran?
The IUPAC name of 1,6-dimethylbenzo[e][1]benzofuran (CID 172538519) is 1,6-dimethylbenzo[e][1]benzofuran.
What is the SMILES notation for 1,6-dimethylbenzo[e][1]benzofuran?
The canonical SMILES for 1,6-dimethylbenzo[e][1]benzofuran is Cc1cccc2c1ccc1occ(C)c12.
What is the InChIKey of 1,6-dimethylbenzo[e][1]benzofuran?
The InChIKey is AOVRZXIBHADQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-8H,1-2H3.
What are the key properties of 1,6-dimethylbenzo[e][1]benzofuran?
1,6-dimethylbenzo[e][1]benzofuran has a molecular weight of 196.25 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylbenzo[e][1]benzofuran is sourced from PubChem (CID 172538519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).