1-(4-Chlorophenyl)-2-methylheptan-2-ol
Basic information
- CAS
1742-41-2- Standard SMILES
CCCCCC(C)(O)Cc1ccc(Cl)cc1- InChIKey
GIGOXPGPGLRKQI-UHFFFAOYSA-N- Molecular formula
- C14H21ClO
- Average molar mass
- 240.77 g/mol
- Monoisotopic mass
- 240.128093
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-methylheptan-2-ol
- IUPAC
- 1-(4-chlorophenyl)-2-methylheptan-2-ol
Names & synonyms
1742-41-21-(4-chlorophenyl)-2-methylheptan-2-olNSC527569DTXSID60326394AKOS019122567NSC-527569DS-010148BENZENEETHANOL,4-CHLORO-A-METHYL-A-PENTYL-
Database identifiers
- CAS
1742-41-2- PubChem CID
- 352702
- DTXSID
DTXSID60326394
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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