1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea

C11H15BrN2O2 — CID 47237413

IUPAC1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NCCO
InChIInChI=1S/C11H15BrN2O2/c1-7-5-9(12)6-8(2)10(7)14-11(16)13-3-4-15/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16)
InChIKeySBIBMLWXDMQBSG-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea

1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 47237413) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
PubChem CID47237413
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NCCO
InChIInChI=1S/C11H15BrN2O2/c1-7-5-9(12)6-8(2)10(7)14-11(16)13-3-4-15/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16)
InChIKeySBIBMLWXDMQBSG-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea (CID 47237413) is 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea is Cc1cc(Br)cc(C)c1NC(=O)NCCO.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is SBIBMLWXDMQBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-5-9(12)6-8(2)10(7)14-11(16)13-3-4-15/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea?
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 287.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 47237413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).