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2-Methoxy-5-nonyl benzophenone

HCID 20161991
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCc1ccc(OC)c(C(=O)c2ccccc2)c1
InChIKey
NQRLFKKPILSBJU-UHFFFAOYSA-N
Molecular formula
C23H30O2
Average molar mass
338.5 g/mol

Names & identifiers

Preferred name
2-Methoxy-5-nonyl benzophenone
IUPAC
(2-methoxy-5-nonylphenyl)-phenylmethanone

Names & synonyms

2-methoxy-5-nonyl benzophenoneSCHEMBL10597931NQRLFKKPILSBJU-UHFFFAOYSA-N

Database identifiers

PubChem CID
20161991

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
25
Formal charge
0
Complexity
359

Related reactions

6 records
New reaction record
HRID 247227 reaction equation
HRID 247227As productuspto-grants-1987_11
HRID 247228 reaction equation
HRID 247228As reactantuspto-grants-1987_11
HRID 284148 reaction equation
HRID 284148As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 483069 reaction equation
HRID 483069As productuspto-grants-1986_03
HRID 483070 reaction equation
HRID 483070As reactantuspto-grants-1986_03
HRID 822012 reaction equation
HRID 822012As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes