4-bromo-2-methyl-1-(4-methylpentoxy)benzene

C13H19BrO — CID 83156668

IUPAC4-bromo-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(Br)ccc1OCCCC(C)C
InChIInChI=1S/C13H19BrO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyAKEWEAGLOBATOY-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.57
Rot. Bonds5

About 4-bromo-2-methyl-1-(4-methylpentoxy)benzene

4-bromo-2-methyl-1-(4-methylpentoxy)benzene (PubChem CID 83156668) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-bromo-2-methyl-1-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-methyl-1-(4-methylpentoxy)benzene
PubChem CID83156668
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name4-bromo-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(Br)ccc1OCCCC(C)C
InChIInChI=1S/C13H19BrO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyAKEWEAGLOBATOY-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpentan-1-amine
CID 63517402
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63517078
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1-(4-methylpentoxy)benzene?
The IUPAC name of 4-bromo-2-methyl-1-(4-methylpentoxy)benzene (CID 83156668) is 4-bromo-2-methyl-1-(4-methylpentoxy)benzene.
What is the SMILES notation for 4-bromo-2-methyl-1-(4-methylpentoxy)benzene?
The canonical SMILES for 4-bromo-2-methyl-1-(4-methylpentoxy)benzene is Cc1cc(Br)ccc1OCCCC(C)C.
What is the InChIKey of 4-bromo-2-methyl-1-(4-methylpentoxy)benzene?
The InChIKey is AKEWEAGLOBATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-1-(4-methylpentoxy)benzene?
4-bromo-2-methyl-1-(4-methylpentoxy)benzene has a molecular weight of 271.20 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1-(4-methylpentoxy)benzene is sourced from PubChem (CID 83156668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).