1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene

C15H23BrO — CID 66041741

IUPAC1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
SMILESCCOCCCC(CBr)Cc1ccccc1C
InChIInChI=1S/C15H23BrO/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyPUDWEKJAIHZJBG-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.37
Rot. Bonds8

About 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene

1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene (PubChem CID 66041741) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
PubChem CID66041741
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
SMILESCCOCCCC(CBr)Cc1ccccc1C
InChIInChI=1S/C15H23BrO/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyPUDWEKJAIHZJBG-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-4-phenoxybutyl]-2-methylbenzene
CID 66043142
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
CID 66040938
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
1-bromo-2-[2-(bromomethyl)-4-(3-methylbutoxy)butyl]benzene
CID 66042556
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene (CID 66041741) is 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene is CCOCCCC(CBr)Cc1ccccc1C.
What is the InChIKey of 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene?
The InChIKey is PUDWEKJAIHZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene?
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene has a molecular weight of 299.25 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene is sourced from PubChem (CID 66041741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).