4-(3-bromophenyl)-2-methylbutan-2-ol

C11H15BrO — CID 82117814

IUPAC4-(3-bromophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyXPFVICQNZIUSPF-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.15
Rot. Bonds3

About 4-(3-bromophenyl)-2-methylbutan-2-ol

4-(3-bromophenyl)-2-methylbutan-2-ol (PubChem CID 82117814) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methylbutan-2-ol
PubChem CID82117814
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name4-(3-bromophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyXPFVICQNZIUSPF-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-bromophenyl)-2-methylbutan-2-ol (CID 82117814) is 4-(3-bromophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-bromophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-bromophenyl)-2-methylbutan-2-ol is CC(C)(O)CCc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-methylbutan-2-ol?
The InChIKey is XPFVICQNZIUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-methylbutan-2-ol?
4-(3-bromophenyl)-2-methylbutan-2-ol has a molecular weight of 243.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 82117814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).