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(3-Phenoxy-benzyl)-carbamic acid phenyl ester

HCID 58388010
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NCc1cccc(Oc2ccccc2)c1)Oc1ccccc1
InChIKey
ADHVNXJRYINOEO-UHFFFAOYSA-N
Molecular formula
C20H17NO3
Average molar mass
319.4 g/mol

Names & identifiers

Preferred name
(3-Phenoxy-benzyl)-carbamic acid phenyl ester
IUPAC
phenyl N-[(3-phenoxyphenyl)methyl]carbamate

Names & synonyms

SCHEMBL1680576ADHVNXJRYINOEO-UHFFFAOYSA-N(3-Phenoxy-benzyl)-carbamic acid phenyl ester

Database identifiers

PubChem CID
58388010

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
375

Related reactions

2 records
New reaction record
HRID 962127 reaction equation
HRID 962127As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2080092 reaction equation
HRID 2080092As productuspto-grants-2011_04

Compound notes

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