4-Bromo-2-ethyl-1-methoxybenzene

HCID 13301602

Notes Reactions

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Basic information

Standard SMILES: CCc1cc(Br)ccc1OC
InChIKey: IRITUNGQFQNGKP-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol

Names & identifiers

Preferred name: 4-Bromo-2-ethyl-1-methoxybenzene
IUPAC: 4-bromo-2-ethyl-1-methoxybenzene

Names & synonyms

4-bromo-2-ethyl-1-methoxybenzene33839-11-1MFCD136593994-Bromo-2-ethyl-1-methoxy-benzeneSCHEMBL2122024SCHEMBL3991296SCHEMBL6805035SCHEMBL31288205IRITUNGQFQNGKP-UHFFFAOYSA-NAKOS022797301DS-7332DB-316313

Show more names

CS-0186954C74737F456143

Database identifiers

PubChem CID: 13301602

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Related reactions

10 records

New reaction record

HRID 858616As productuspto-grants-2006_12

HRID 858617As reactantuspto-grants-2006_12

HRID 943514As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1016776As reactantuspto-grants-2002_11

HRID 1066610As reactantuspto-grants-2001_06

HRID 1453065As productuspto-grants-2009_01

HRID 1453066As reactantuspto-grants-2009_01

HRID 1558577As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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