HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-[(6-Chloro-2-phenylpyrimidin-4-yl)oxy]-4-(benzyloxy)benzonitrile

HCID 15480703
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(OCc2ccccc2)c(Oc2cc(Cl)nc(-c3ccccc3)n2)c1
InChIKey
PXDXIYWVZWQHON-UHFFFAOYSA-N
Molecular formula
C24H16ClN3O2
Average molar mass
413.9 g/mol

Names & identifiers

Preferred name
3-[(6-Chloro-2-phenylpyrimidin-4-yl)oxy]-4-(benzyloxy)benzonitrile
IUPAC
3-(6-chloro-2-phenylpyrimidin-4-yl)oxy-4-phenylmethoxybenzonitrile

Names & synonyms

SCHEMBL7375457PXDXIYWVZWQHON-UHFFFAOYSA-N3-[(6-chloro-2-phenylpyrimidin-4-yl)oxy]-4-(benzyloxy)benzonitrile

Database identifiers

PubChem CID
15480703

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
68 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
570

Related reactions

6 records
New reaction record
HRID 139328 reaction equation
HRID 139328As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 365390 reaction equation
HRID 365390As productuspto-grants-2000_10
HRID 365391 reaction equation
HRID 365391As reactantuspto-grants-2000_10
HRID 670225 reaction equation
HRID 670225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 841981 reaction equation
HRID 841981As productuspto-grants-2002_04
HRID 841982 reaction equation
HRID 841982As reactantuspto-grants-2002_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes