2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran

C13H16O — CID 89073344

IUPAC2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran
SMILESC=C1Cc2cc(CC(C)C)ccc2O1
InChIInChI=1S/C13H16O/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMWVHOMKFIHHGEK-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.33
Rot. Bonds2

About 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran

2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran (PubChem CID 89073344) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran.

Molecular Properties

Compound Name2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran
PubChem CID89073344
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran
SMILESC=C1Cc2cc(CC(C)C)ccc2O1
InChIInChI=1S/C13H16O/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMWVHOMKFIHHGEK-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-methylpropyl)-4H-chromen-3-one
CID 159015525
2-methyl-6-(2-methylpropyl)-4H-chromen-3-one
CID 159015527
6-(2-methylpropyl)-1,4-benzodioxine
CID 57144989
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 166773484
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
CID 22890491
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
1-(2-methylidene-1,3-dihydroinden-5-yl)propane-2-thiol
CID 143703948
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563296
5-(2-methylpropyl)-1H-indene
CID 18314914
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran?
The IUPAC name of 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran (CID 89073344) is 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran.
What is the SMILES notation for 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran?
The canonical SMILES for 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran is C=C1Cc2cc(CC(C)C)ccc2O1.
What is the InChIKey of 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran?
The InChIKey is MWVHOMKFIHHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran?
2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran has a molecular weight of 188.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran is sourced from PubChem (CID 89073344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).