2-(4-bromophenyl)-2-methylpropan-1-ol

C10H13BrO — CID 12805124

IUPAC2-(4-bromophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyHHHZLLZSLJJFER-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.72
Rot. Bonds2

About 2-(4-bromophenyl)-2-methylpropan-1-ol

2-(4-bromophenyl)-2-methylpropan-1-ol (PubChem CID 12805124) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methylpropan-1-ol
PubChem CID12805124
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-(4-bromophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyHHHZLLZSLJJFER-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-2-methylpropan-1-ol (CID 12805124) is 2-(4-bromophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methylpropan-1-ol?
The InChIKey is HHHZLLZSLJJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-methylpropan-1-ol?
2-(4-bromophenyl)-2-methylpropan-1-ol has a molecular weight of 229.12 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 12805124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).