tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate

C18H21NO4 — CID 58020516

IUPACtert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-15-10-9-14(11-16(15)20)22-12-13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyZYNBBGGVWIILFQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate

tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate (PubChem CID 58020516) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
PubChem CID58020516
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nametert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-15-10-9-14(11-16(15)20)22-12-13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyZYNBBGGVWIILFQ-UHFFFAOYSA-N
XLogP4.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
CID 23130265
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
CID 171099839
tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
CID 156901287
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate (CID 58020516) is tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate?
The InChIKey is ZYNBBGGVWIILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-15-10-9-14(11-16(15)20)22-12-13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate?
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate has a molecular weight of 315.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 58020516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).