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

C14H21BrO — CID 114875950

IUPAC1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C14H21BrO/c1-5-9(2)6-14(16)12-7-11(4)13(15)8-10(12)3/h7-9,14,16H,5-6H2,1-4H3
InChIKeyVSVLZMQZNDIDNV-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.54
Rot. Bonds4

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

1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol (PubChem CID 114875950) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
PubChem CID114875950
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C14H21BrO/c1-5-9(2)6-14(16)12-7-11(4)13(15)8-10(12)3/h7-9,14,16H,5-6H2,1-4H3
InChIKeyVSVLZMQZNDIDNV-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 ≤ 500285.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
CID 115788916
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
6-(2-bromo-4,5-dimethylphenyl)heptane-3,4-diol
CID 83921965
1-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-ol
CID 114875969
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
CID 114021565
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol (CID 114875950) is 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cc(C)c(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol?
The InChIKey is VSVLZMQZNDIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-5-9(2)6-14(16)12-7-11(4)13(15)8-10(12)3/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol?
1-(4-bromo-2,5-dimethylphenyl)-3-methylpentan-1-ol has a molecular weight of 285.23 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-2,5-dimethylphenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 114875950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).