2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol

C12H17BrO — CID 117395660

IUPAC2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1cc(Br)cc(C(C)(C)CO)c1
InChIInChI=1S/C12H17BrO/c1-4-9-5-10(7-11(13)6-9)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyNILRAXMTAZFEBT-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.28
Rot. Bonds3

About 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol

2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol (PubChem CID 117395660) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol
PubChem CID117395660
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1cc(Br)cc(C(C)(C)CO)c1
InChIInChI=1S/C12H17BrO/c1-4-9-5-10(7-11(13)6-9)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyNILRAXMTAZFEBT-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol (CID 117395660) is 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol is CCc1cc(Br)cc(C(C)(C)CO)c1.
What is the InChIKey of 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol?
The InChIKey is NILRAXMTAZFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-9-5-10(7-11(13)6-9)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol?
2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117395660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).