1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol

C13H18Br2O — CID 114875970

IUPAC1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H18Br2O/c1-4-8(2)5-13(16)10-7-11(14)9(3)6-12(10)15/h6-8,13,16H,4-5H2,1-3H3
InChIKeyBTKOEYNPQRICJZ-UHFFFAOYSA-N
MW350.09 g/mol
LogP4.99
Rot. Bonds4

About 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol

1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol (PubChem CID 114875970) has the molecular formula C13H18Br2O and a molecular weight of 350.09 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
PubChem CID114875970
Molecular FormulaC13H18Br2O
Molecular Weight350.09 g/mol
Exact Mass347.97
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H18Br2O/c1-4-8(2)5-13(16)10-7-11(14)9(3)6-12(10)15/h6-8,13,16H,4-5H2,1-3H3
InChIKeyBTKOEYNPQRICJZ-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
CID 114875950
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81473324
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
6-(2-bromo-4,5-dimethylphenyl)heptane-3,4-diol
CID 83921965
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790
1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
CID 114875969
1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
CID 81474215
1,4-dibromo-2-(1-bromobutyl)-5-methylbenzene
CID 81473463

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol (CID 114875970) is 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol?
The InChIKey is BTKOEYNPQRICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O/c1-4-8(2)5-13(16)10-7-11(14)9(3)6-12(10)15/h6-8,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol?
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol has a molecular weight of 350.09 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 114875970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).