1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol

C12H17BrO — CID 83988258

IUPAC1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(Br)c(C(O)CC(C)C)c1
InChIInChI=1S/C12H17BrO/c1-8(2)6-12(14)10-7-9(3)4-5-11(10)13/h4-5,7-8,12,14H,6H2,1-3H3
InChIKeyQOGIOCFGXKITMF-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol

1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol (PubChem CID 83988258) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
PubChem CID83988258
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(Br)c(C(O)CC(C)C)c1
InChIInChI=1S/C12H17BrO/c1-8(2)6-12(14)10-7-9(3)4-5-11(10)13/h4-5,7-8,12,14H,6H2,1-3H3
InChIKeyQOGIOCFGXKITMF-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
1-(2-bromo-5-phenoxyphenyl)-3-methylbutan-1-ol
CID 83988700
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
1-(2-bromo-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171863103
[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine
CID 105294292
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol (CID 83988258) is 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol is Cc1ccc(Br)c(C(O)CC(C)C)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is QOGIOCFGXKITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)6-12(14)10-7-9(3)4-5-11(10)13/h4-5,7-8,12,14H,6H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol?
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83988258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).