6-Bromo-8-cyclopropyl-2,2,4,4-tetramethyl chroman

HCID 18177966

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)CC(C)(C)c2cc(Br)cc(C3CC3)c2O1
InChIKey: IIIHKXBIVCLFJM-UHFFFAOYSA-N
Molecular formula: C16H21BrO
Average molar mass: 309.24 g/mol

Names & identifiers

Preferred name: 6-Bromo-8-cyclopropyl-2,2,4,4-tetramethyl chroman
IUPAC: 6-bromo-8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromene

Names & synonyms

SCHEMBL5736306IIIHKXBIVCLFJM-UHFFFAOYSA-N6-bromo-8-cyclopropyl-2,2,4,4-tetramethyl chroman

Database identifiers

PubChem CID: 18177966

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 332

Related reactions

18 records

New reaction record

HRID 24098As reactantuspto-grants-2005_02

HRID 51667As reactantuspto-grants-2004_03

HRID 278671As reactantuspto-grants-2002_03

HRID 381046As reactantuspto-grants-2001_10

HRID 427812As reactantuspto-grants-2001_11

HRID 690634As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 832200As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 841352As reactantuspto-grants-2002_04

Compound notes

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