2-(5-bromo-2-methylphenyl)propan-2-ol

C10H13BrO — CID 84692412

IUPAC2-(5-bromo-2-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)cc1C(C)(C)O
InChIInChI=1S/C10H13BrO/c1-7-4-5-8(11)6-9(7)10(2,3)12/h4-6,12H,1-3H3
InChIKeyNYRYXMCSPBINBU-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.98
Rot. Bonds1

About 2-(5-bromo-2-methylphenyl)propan-2-ol

2-(5-bromo-2-methylphenyl)propan-2-ol (PubChem CID 84692412) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)propan-2-ol
PubChem CID84692412
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-(5-bromo-2-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)cc1C(C)(C)O
InChIInChI=1S/C10H13BrO/c1-7-4-5-8(11)6-9(7)10(2,3)12/h4-6,12H,1-3H3
InChIKeyNYRYXMCSPBINBU-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)propan-2-ol?
The IUPAC name of 2-(5-bromo-2-methylphenyl)propan-2-ol (CID 84692412) is 2-(5-bromo-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)propan-2-ol is Cc1ccc(Br)cc1C(C)(C)O.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)propan-2-ol?
The InChIKey is NYRYXMCSPBINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7-4-5-8(11)6-9(7)10(2,3)12/h4-6,12H,1-3H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)propan-2-ol?
2-(5-bromo-2-methylphenyl)propan-2-ol has a molecular weight of 229.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 84692412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).