1-(2-bromo-4,5-dimethylphenyl)butan-1-ol

C12H17BrO — CID 83988264

IUPAC1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)c(C)cc1Br
InChIInChI=1S/C12H17BrO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3
InChIKeyPHBKFHPOUCNRHZ-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.90
Rot. Bonds3

About 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol

1-(2-bromo-4,5-dimethylphenyl)butan-1-ol (PubChem CID 83988264) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
PubChem CID83988264
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)c(C)cc1Br
InChIInChI=1S/C12H17BrO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3
InChIKeyPHBKFHPOUCNRHZ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1,4-dibromo-2-(1-bromobutyl)-5-methylbenzene
CID 81473463
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
CID 103920530
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
6-(2-bromo-4,5-dimethylphenyl)heptane-3,4-diol
CID 83921965
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-methylfuran-3-yl)butan-1-ol
CID 130822958
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
CID 83951303
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81473324

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol?
The IUPAC name of 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol (CID 83988264) is 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol is CCCC(O)c1cc(C)c(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol?
The InChIKey is PHBKFHPOUCNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol?
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 83988264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).