1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol

C14H21BrO — CID 107893070

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrO/c1-5-6-9(2)14(16)12-7-10(3)13(15)11(4)8-12/h7-9,14,16H,5-6H2,1-4H3
InChIKeyBMCBWKDVTWFMFC-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol

1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol (PubChem CID 107893070) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
PubChem CID107893070
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrO/c1-5-6-9(2)14(16)12-7-10(3)13(15)11(4)8-12/h7-9,14,16H,5-6H2,1-4H3
InChIKeyBMCBWKDVTWFMFC-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 114013851
2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
2-methyl-1-(4-methyl-3-phosphanylphenyl)pentan-1-ol
CID 176967790
1-(3-bromo-5-methylthiophen-2-yl)-2-methylpentan-1-ol
CID 65278749
2-methyl-1-(2-methyl-4-pyridinyl)pentan-1-ol
CID 107894619
1-(4-bromo-3,5-dimethylphenyl)-3-ethylheptan-1-ol
CID 114329962
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
CID 107892788
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
1-(4-bromo-3,5-dimethylphenyl)hex-4-yn-1-ol
CID 114329886

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol (CID 107893070) is 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol?
The InChIKey is BMCBWKDVTWFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-5-6-9(2)14(16)12-7-10(3)13(15)11(4)8-12/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol?
1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol has a molecular weight of 285.22 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-1-ol is sourced from PubChem (CID 107893070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).