4-(Bromomethyl)-2-isopropyl-1-methoxybenzene

HCID 14830644

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Basic information

CAS: 64929-62-0
Standard SMILES: COc1ccc(CBr)cc1C(C)C
InChIKey: SJOOUGUUAGBXFH-UHFFFAOYSA-N
Molecular formula: C11H15BrO
Average molar mass: 243.14 g/mol
Monoisotopic mass: 242.03063

Names & identifiers

Preferred name: 4-(Bromomethyl)-2-isopropyl-1-methoxybenzene
IUPAC: 4-(bromomethyl)-1-methoxy-2-propan-2-ylbenzene

Names & synonyms

64929-62-04-(bromomethyl)-2-isopropyl-1-methoxybenzeneBenzene, 4-(bromomethyl)-1-methoxy-2-(1-methylethyl)-SCHEMBL6690387DTXSID00564470GS27844-(Bromomethyl)-1-methoxy-2-(propan-2-yl)benzene

Database identifiers

CAS: 64929-62-0
PubChem CID: 14830644
DTXSID: DTXSID00564470

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 147

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