[2-(4-Bromo-benzyl)-4,5-dimethyl-furan-3-yl]-(3-cyclopentyl-4-methoxy-phenyl)-methanone

HCID 23445643

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C(=O)c2c(Cc3ccc(Br)cc3)oc(C)c2C)cc1C1CCCC1
InChIKey: VKFOHLOSDVDHRD-UHFFFAOYSA-N
Molecular formula: C26H27BrO3
Average molar mass: 467.4 g/mol

Names & identifiers

Preferred name: [2-(4-Bromo-benzyl)-4,5-dimethyl-furan-3-yl]-(3-cyclopentyl-4-methoxy-phenyl)-methanone
IUPAC: [2-[(4-bromophenyl)methyl]-4,5-dimethylfuran-3-yl]-(3-cyclopentyl-4-methoxyphenyl)methanone

Names & synonyms

SCHEMBL6734073VKFOHLOSDVDHRD-UHFFFAOYSA-N[2-(4-Bromo-benzyl)-4,5-dimethyl-furan-3-yl]-(3-cyclopentyl-4-methoxy-phenyl)-methanone[2-(4bromo-benzyl)4,5-dimethyl-furan-3-yl]-(3-cyclopentyl-4-methoxy-phenyl)-methanone

Database identifiers

PubChem CID: 23445643

Properties

Computed structural properties

XLogP: 7.7
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 567

Related reactions

8 records

New reaction record

HRID 188056As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1067345As reactantuspto-grants-2001_06

HRID 1119043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1211072As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1280906As reactantuspto-grants-2002_09

HRID 1841325As productuspto-grants-2004_01

HRID 1871317As productuspto-grants-2000_08

HRID 1871318As reactantuspto-grants-2000_08

Compound notes

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