1-Butanol, 3-(p-iodophenyl)-

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Basic information

CAS: 60075-81-2
Standard SMILES: CC(CCO)c1ccc(I)cc1
InChIKey: OYCSFEFJBWCHEW-UHFFFAOYSA-N
Molecular formula: C10H13IO
Average molar mass: 276.11 g/mol
Monoisotopic mass: 276.00111

Names & identifiers

Preferred name: 1-Butanol, 3-(p-iodophenyl)-
IUPAC: 3-(4-iodophenyl)butan-1-ol
English name: 3-(p-Iodophenyl)-1-butanol
Molecular formula: C10H13IO
Molecular weight: 276.11

Names & synonyms

60075-81-21-BUTANOL, 3-(p-IODOPHENYL)-RefChem:10550993-(p-Iodophenyl)-1-butanol3-(4-iodophenyl)butan-1-ol3-(4-Iodophenyl)-1-butanolBRN 2502296Benzenepropanol, 4-iodo-gamma-methyl-3-(p-iodophenyl) butanolSCHEMBL11570597DTXSID20975504OYCSFEFJBWCHEW-UHFFFAOYSA-N

Show more names

Benzenepropanol, 4-iodo-γ-methyl-

Database identifiers

CAS: 60075-81-2
PubChem CID: 43206
DTXSID: DTXSID20975504
Nikkaji: J64.680F

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 119

Related reactions

1 records

New reaction record

HRID 1703773As reactantuspto-grants-1978_11

Compound notes

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