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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Related Compounds

3,6,8-trimethyl-6H-benzo[c]chromene
CID 59449406
2,2,6-trimethyl-4-methylidene-3H-chromene
CID 58549987
(2S)-2,5-dimethyl-3-methylidene-1,2-dihydroindene
CID 145271864
2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
CID 167666261
3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
CID 82363801
3,5-dimethyl-2-methylidene-3H-inden-1-one
CID 130031161
2-(2,5-dimethylphenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
CID 118351565
2-ethyl-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 54350762
2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
CID 114673730
(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
CID 126699254
2-fluoro-5-methyl-3-methylidene-1,2-dihydroindene
CID 162688004
5-methyl-1-benzofuran-2,3-dione
CID 56974146

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).