2,5-dimethyl-3-methylidene-1-benzofuran

C11H12O — CID 126604553

IUPAC2,5-dimethyl-3-methylidene-1-benzofuran
SMILESC=C1c2cc(C)ccc2OC1C
InChIInChI=1S/C11H12O/c1-7-4-5-11-10(6-7)8(2)9(3)12-11/h4-6,9H,2H2,1,3H3
InChIKeyGIVYHAWRWHWDRA-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.79
Rot. Bonds

About 2,5-dimethyl-3-methylidene-1-benzofuran

2,5-dimethyl-3-methylidene-1-benzofuran (PubChem CID 126604553) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylidene-1-benzofuran.

Molecular Properties

Compound Name2,5-dimethyl-3-methylidene-1-benzofuran
PubChem CID126604553
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2,5-dimethyl-3-methylidene-1-benzofuran
SMILESC=C1c2cc(C)ccc2OC1C
InChIInChI=1S/C11H12O/c1-7-4-5-11-10(6-7)8(2)9(3)12-11/h4-6,9H,2H2,1,3H3
InChIKeyGIVYHAWRWHWDRA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylidene-1-benzofuran?
The IUPAC name of 2,5-dimethyl-3-methylidene-1-benzofuran (CID 126604553) is 2,5-dimethyl-3-methylidene-1-benzofuran.
What is the SMILES notation for 2,5-dimethyl-3-methylidene-1-benzofuran?
The canonical SMILES for 2,5-dimethyl-3-methylidene-1-benzofuran is C=C1c2cc(C)ccc2OC1C.
What is the InChIKey of 2,5-dimethyl-3-methylidene-1-benzofuran?
The InChIKey is GIVYHAWRWHWDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-7-4-5-11-10(6-7)8(2)9(3)12-11/h4-6,9H,2H2,1,3H3.
What are the key properties of 2,5-dimethyl-3-methylidene-1-benzofuran?
2,5-dimethyl-3-methylidene-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylidene-1-benzofuran is sourced from PubChem (CID 126604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).