[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene

C14H21BrO2 — CID 103415412

IUPAC[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
SMILESCOCCOCCCC(CBr)c1ccccc1
InChIInChI=1S/C14H21BrO2/c1-16-10-11-17-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyDJMHCGDTRRFZMC-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.61
Rot. Bonds9

About [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene

[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene (PubChem CID 103415412) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene.

Molecular Properties

Compound Name[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
PubChem CID103415412
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene
SMILESCOCCOCCCC(CBr)c1ccccc1
InChIInChI=1S/C14H21BrO2/c1-16-10-11-17-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyDJMHCGDTRRFZMC-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
1-[1-bromo-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-4-chlorobenzene
CID 104568762
1-bromo-4-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650728
1-bromododecan-2-ylbenzene
CID 66043461
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene
CID 91160938
1-(1-bromo-5-methoxypentan-2-yl)-2-methylbenzene
CID 79418534
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633

Frequently Asked Questions

What is the IUPAC name of [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene?
The IUPAC name of [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene (CID 103415412) is [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene.
What is the SMILES notation for [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene?
The canonical SMILES for [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene is COCCOCCCC(CBr)c1ccccc1.
What is the InChIKey of [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene?
The InChIKey is DJMHCGDTRRFZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-16-10-11-17-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene?
[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene has a molecular weight of 301.22 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-5-(2-methoxyethoxy)pentan-2-yl]benzene is sourced from PubChem (CID 103415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).