(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate

C12H16BrNO3 — CID 175480142

IUPAC(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cccc(Br)c1O
InChIInChI=1S/C12H16BrNO3/c1-12(2,3)14-11(16)17-7-8-5-4-6-9(13)10(8)15/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyJRFBLUYFDGWFBU-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.18
Rot. Bonds2

About (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate

(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate (PubChem CID 175480142) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate
PubChem CID175480142
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cccc(Br)c1O
InChIInChI=1S/C12H16BrNO3/c1-12(2,3)14-11(16)17-7-8-5-4-6-9(13)10(8)15/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyJRFBLUYFDGWFBU-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-methoxyphenyl)methyl N-tert-butylcarbamate
CID 170157678
[4-bromo-2-(trifluoromethyl)phenyl]methyl N-tert-butylcarbamate
CID 156905176
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
[2-[(3-bromo-2-hydroxyphenyl)methyl]-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 142790842
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859
[2-(aminomethyl)phenyl] N-tert-butylcarbamate
CID 141322688
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
[3-(5-bromo-3-pyridinyl)phenyl]methyl N-tert-butylcarbamate
CID 174613945
3-[(3-bromo-2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 61391463

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate?
The IUPAC name of (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate (CID 175480142) is (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate?
The canonical SMILES for (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cccc(Br)c1O.
What is the InChIKey of (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate?
The InChIKey is JRFBLUYFDGWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-12(2,3)14-11(16)17-7-8-5-4-6-9(13)10(8)15/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate?
(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate has a molecular weight of 302.17 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 175480142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).