1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate

C11H14BrNO2 — CID 174572211

IUPAC1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate
SMILESCc1cc(Br)cc(C)c1C(C)OC(N)=O
InChIInChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)8(3)15-11(13)14/h4-5,8H,1-3H3,(H2,13,14)
InChIKeyXWEUXJKBMUIONO-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.22
Rot. Bonds2

About 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate

1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate (PubChem CID 174572211) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate
PubChem CID174572211
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate
SMILESCc1cc(Br)cc(C)c1C(C)OC(N)=O
InChIInChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)8(3)15-11(13)14/h4-5,8H,1-3H3,(H2,13,14)
InChIKeyXWEUXJKBMUIONO-UHFFFAOYSA-N
XLogP3.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate (CID 174572211) is 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate is Cc1cc(Br)cc(C)c1C(C)OC(N)=O.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate?
The InChIKey is XWEUXJKBMUIONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-4-9(12)5-7(2)10(6)8(3)15-11(13)14/h4-5,8H,1-3H3,(H2,13,14).
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate?
1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate has a molecular weight of 272.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)ethyl carbamate is sourced from PubChem (CID 174572211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).