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2'-[(t-Butoxycarbonylamino)methyl]-1,1-biphenyl-4-methanol

HCID 22008472
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(CO)cc1
InChIKey
GCZFXLXXSJVAKS-UHFFFAOYSA-N
Molecular formula
C19H23NO3
Average molar mass
313.4 g/mol
Monoisotopic mass
313.1677936

Names & identifiers

Preferred name
2'-[(t-Butoxycarbonylamino)methyl]-1,1-biphenyl-4-methanol
IUPAC
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]phenyl]methyl]carbamate

Names & synonyms

SCHEMBL7791651GCZFXLXXSJVAKS-UHFFFAOYSA-NAKOS0159695092'-[(t-butoxycarbonylamino)methyl]-1,1 '-biphenyl-4-methanol2'-[(t-butoxycarbonylamino)methyl]-1,1'-biphenyl-4-methanol2'-[(t-Butoxycarbonylamino)methyl]-1,1-biphenyl-4-methanol4-Hydroxymethyl-2'(t-butoxycarbonylaminomethyl)-1,1'-biphenyl2'-[(t- Butoxycarbonylamino)methyl]-1,1 '-biphenyl-4-methanol

Database identifiers

PubChem CID
22008472

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
369

Related reactions

20 records
New reaction record
HRID 1921 reaction equation
HRID 1921As reactantuspto-grants-1998_03
HRID 118275 reaction equation
HRID 118275As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 165493 reaction equation
HRID 165493As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 322039 reaction equation
HRID 322039As reactantuspto-grants-2001_04
HRID 322041 reaction equation
HRID 322041As reactantuspto-grants-2001_04
HRID 1078155 reaction equation
HRID 1078155As productuspto-grants-1996_08
HRID 1078158 reaction equation
HRID 1078158As reactantuspto-grants-1996_08
HRID 1080744 reaction equation
HRID 1080744As productuspto-grants-1996_12
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Compound notes

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