(5-methyl-2-propan-2-ylphenyl) hypobromite

C10H13BrO — CID 54086840

IUPAC(5-methyl-2-propan-2-ylphenyl) hypobromite
SMILESCc1ccc(C(C)C)c(OBr)c1
InChIInChI=1S/C10H13BrO/c1-7(2)9-5-4-8(3)6-10(9)12-11/h4-7H,1-3H3
InChIKeyMRCADRXNIHVJNH-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.81
Rot. Bonds2

About (5-methyl-2-propan-2-ylphenyl) hypobromite

(5-methyl-2-propan-2-ylphenyl) hypobromite (PubChem CID 54086840) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl) hypobromite.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl) hypobromite
PubChem CID54086840
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(5-methyl-2-propan-2-ylphenyl) hypobromite
SMILESCc1ccc(C(C)C)c(OBr)c1
InChIInChI=1S/C10H13BrO/c1-7(2)9-5-4-8(3)6-10(9)12-11/h4-7H,1-3H3
InChIKeyMRCADRXNIHVJNH-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl) hypobromite?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl) hypobromite (CID 54086840) is (5-methyl-2-propan-2-ylphenyl) hypobromite.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl) hypobromite?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl) hypobromite is Cc1ccc(C(C)C)c(OBr)c1.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl) hypobromite?
The InChIKey is MRCADRXNIHVJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7(2)9-5-4-8(3)6-10(9)12-11/h4-7H,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylphenyl) hypobromite?
(5-methyl-2-propan-2-ylphenyl) hypobromite has a molecular weight of 229.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl) hypobromite is sourced from PubChem (CID 54086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).