Basic information
- CAS
82158-25-6- Standard SMILES
Cc1c(C(O)c2ccc(Cl)cc2)oc2ccccc12- InChIKey
UQMOUHJLYOWVID-UHFFFAOYSA-N- Molecular formula
- C16H13ClO2
- Average molar mass
- 272.72 g/mol
- Monoisotopic mass
- 272.0604073
Names & identifiers
- Preferred name
- 2-Benzofuranmethanol, alpha-(4-chlorophenyl)-3-methyl-
- IUPAC
- (4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methanol
Names & synonyms
82158-25-62-BENZOFURANMETHANOL, alpha-(4-CHLOROPHENYL)-3-METHYL-RefChem:1062324alpha-(4-Chlorophenyl)-3-methyl-2-benzofuranmethanol(4-chlorophenyl)(3-methyl-1-benzofuran-2-yl)methanolSCHEMBL11105961DTXSID401002512
Database identifiers
- CAS
82158-25-6- PubChem CID
- 54836
- DTXSID
DTXSID401002512- Nikkaji
- J3.437.389B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 33.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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