1,1-dimethyl-3-methylidene-2-benzofuran

C11H12O — CID 3093166

IUPAC1,1-dimethyl-3-methylidene-2-benzofuran
SMILESC=C1OC(C)(C)c2ccccc21
InChIInChI=1S/C11H12O/c1-8-9-6-4-5-7-10(9)11(2,3)12-8/h4-7H,1H2,2-3H3
InChIKeyIPLMLCNYHKJYQR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.92
Rot. Bonds

About 1,1-dimethyl-3-methylidene-2-benzofuran

1,1-dimethyl-3-methylidene-2-benzofuran (PubChem CID 3093166) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,1-dimethyl-3-methylidene-2-benzofuran.

Molecular Properties

Compound Name1,1-dimethyl-3-methylidene-2-benzofuran
PubChem CID3093166
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1,1-dimethyl-3-methylidene-2-benzofuran
SMILESC=C1OC(C)(C)c2ccccc21
InChIInChI=1S/C11H12O/c1-8-9-6-4-5-7-10(9)11(2,3)12-8/h4-7H,1H2,2-3H3
InChIKeyIPLMLCNYHKJYQR-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dihydroisobenzofuran
CID 10327
2-Methyl-2-phenyloxirane
CID 16398
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
3,3-Dimethyl-1lambda~3~,2-benziodoxol-1(3H)-ol
CID 329553
Methyl cumyl ether
CID 70289
3,3-Dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CID 44228974
2-(2-Methylphenyl)oxirane
CID 151042
2-Ethyl-2-phenyloxirane
CID 10997195
1-Chloro-3,3-dimethyl-1,3-dihydro-1lambda~3~,2-benziodoxole
CID 12494637
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
Benzene, (1-ethoxyethenyl)-
CID 570407

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-methylidene-2-benzofuran?
The IUPAC name of 1,1-dimethyl-3-methylidene-2-benzofuran (CID 3093166) is 1,1-dimethyl-3-methylidene-2-benzofuran.
What is the SMILES notation for 1,1-dimethyl-3-methylidene-2-benzofuran?
The canonical SMILES for 1,1-dimethyl-3-methylidene-2-benzofuran is C=C1OC(C)(C)c2ccccc21.
What is the InChIKey of 1,1-dimethyl-3-methylidene-2-benzofuran?
The InChIKey is IPLMLCNYHKJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-8-9-6-4-5-7-10(9)11(2,3)12-8/h4-7H,1H2,2-3H3.
What are the key properties of 1,1-dimethyl-3-methylidene-2-benzofuran?
1,1-dimethyl-3-methylidene-2-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-methylidene-2-benzofuran is sourced from PubChem (CID 3093166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).