4- (3-BOC-Aminophenyl) phenol

CAT: 0127-OR1065636-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1065636-01Size:250 mg

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CAS Number

1261958-25-1

MDL Number

MFCD18313048

Purity

96%

Smiles

OC1=CC=C(C2=CC=CC(NC(OC(C)(C)C)=O)=C2)C=C1

Chemical Information

4-(3-BOC-Aminophenyl)phenol

CAS Number	1261958-25-1
PubChem CID	53218740
IUPAC Name	tert-butyl N-[3-(4-hydroxyphenyl)phenyl]carbamate
Molecular Formula	C17H19NO3
Molecular Weight	285.34
XLogP	3.8
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	342

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C17H19NO3/c1-17(2,3)21-16(20)18-14-6-4-5-13(11-14)12-7-9-15(19)10-8-12/h4-11,19H,1-3H3,(H,18,20)

InChIKey

FFVLITKIBPWKAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261958-25-1

CID: 53218740

Formula: C17H19NO3

MW: 285.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.34
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	285.13649347
Monoisotopic Mass	285.13649347
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1071713-01	4- ((4-Aminophenyl) sulfonyl) phenol
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OR17567-01	4- (4-Aminophenyl) piperazine, N1-BOC protected
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OR957792-01	4- (Aminomethyl) phenol, N-BOC protected
OR01630	4- (4-Aminophenyl) -2,4-dioxobutanoic acid, N-BOC protected

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