4,7-Dimethylbenzofuran
Basic information
- CAS
28715-26-6- Standard SMILES
Cc1ccc(C)c2occc12- InChIKey
PFXVPEGRXODMIQ-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Overview
Benzofuran, 4,7-dimethyl- is a member of benzofurans.
Names & identifiers
- Preferred name
- 4,7-Dimethylbenzofuran
- IUPAC
- 4,7-dimethyl-1-benzofuran
- English name
- 4,7-dimethylbenzofuran
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
4,7-DIMETHYLBENZOFURAN28715-26-6Benzofuran, 4,7-dimethyl-UNII-VZF5S5L4YYVZF5S5L4YYEINECS 249-184-6DTXSID00182875RefChem:96741DTXCID40105366249-184-6PFXVPEGRXODMIQ-UHFFFAOYSA-N4,7-Dimethyl-1-benzofuran
Show more names
Benzofuran 47-dimethyl-SCHEMBL8064734,7-Dimethyl-1-benzofuran #Benzofuran, 4,?7-?dimethyl-SCHEMBL1132505SCHEMBL31120928CHEBI:89720MFCD13192461
Database identifiers
- CAS
28715-26-6- PubChem CID
- 33109
- DTXSID
DTXSID00182875- ChEBI
CHEBI:89720- UNII
- VZF5S5L4YY
- EC Number
- 249-184-6
- Nikkaji
- J103.140F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 216 °C · 216°C (estimate)
- Density
- 1.041 · 1.0410
- refractive index
- 1.549 · 1.5490 (estimate)
- LogP
- 2.52 · 2.520 (est)
- FDA UNII
- 5 S5L4YY · VZF5S5L4YY
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Benzofuran, 4,7-dimethyl- is a member of benzofurans.
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Related reactions
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Compound notes
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