1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene

C14H21BrO2 — CID 102984547

IUPAC1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
SMILESCCCC(C)OC(CBr)c1ccccc1OC
InChIInChI=1S/C14H21BrO2/c1-4-7-11(2)17-14(10-15)12-8-5-6-9-13(12)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3
InChIKeyJFCMEOZSWXSURI-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.34
Rot. Bonds7

About 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene

1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene (PubChem CID 102984547) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
PubChem CID102984547
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
SMILESCCCC(C)OC(CBr)c1ccccc1OC
InChIInChI=1S/C14H21BrO2/c1-4-7-11(2)17-14(10-15)12-8-5-6-9-13(12)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3
InChIKeyJFCMEOZSWXSURI-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
CID 55035940
N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 62108264
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
CID 63933657
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
(2-iodo-1-pentan-2-yloxyethyl)benzene
CID 102984475
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
CID 58302960

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene?
The IUPAC name of 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene (CID 102984547) is 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene is CCCC(C)OC(CBr)c1ccccc1OC.
What is the InChIKey of 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene?
The InChIKey is JFCMEOZSWXSURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-4-7-11(2)17-14(10-15)12-8-5-6-9-13(12)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3.
What are the key properties of 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene?
1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene has a molecular weight of 301.22 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene is sourced from PubChem (CID 102984547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).