3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane

C13H21BrO — CID 144566079

IUPAC3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
SMILESCC.Cc1cc(CCCO)cc(C)c1Br
InChIInChI=1S/C11H15BrO.C2H6/c1-8-6-10(4-3-5-13)7-9(2)11(8)12;1-2/h6-7,13H,3-5H2,1-2H3;1-2H3
InChIKeyHJYSNPLYNQRUEK-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.02
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane

3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane (PubChem CID 144566079) has the molecular formula C13H21BrO and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
PubChem CID144566079
Molecular FormulaC13H21BrO
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
SMILESCC.Cc1cc(CCCO)cc(C)c1Br
InChIInChI=1S/C11H15BrO.C2H6/c1-8-6-10(4-3-5-13)7-9(2)11(8)12;1-2/h6-7,13H,3-5H2,1-2H3;1-2H3
InChIKeyHJYSNPLYNQRUEK-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 58863008
5-butyl-1,2,3-trimethylbenzene;propan-1-ol;3-(3,4,5-trimethylphenyl)propan-1-ol
CID 158029369
N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide
CID 168944588
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
[4-(3-hydroxypropyl)-2,6-dimethylphenyl] sulfite
CID 88600711
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
methyl 2-hydroxy-5-(3-hydroxypropyl)-3-methylbenzoate
CID 77231111
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane (CID 144566079) is 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane is CC.Cc1cc(CCCO)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane?
The InChIKey is HJYSNPLYNQRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO.C2H6/c1-8-6-10(4-3-5-13)7-9(2)11(8)12;1-2/h6-7,13H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane?
3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane has a molecular weight of 273.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane is sourced from PubChem (CID 144566079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).