1-bromo-2-(4-ethylhexoxy)benzene

C14H21BrO — CID 141091967

IUPAC1-bromo-2-(4-ethylhexoxy)benzene
SMILESCCC(CC)CCCOc1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-3-12(4-2)8-7-11-16-14-10-6-5-9-13(14)15/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyDUKDLBBVBSVUOG-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.04
Rot. Bonds7

About 1-bromo-2-(4-ethylhexoxy)benzene

1-bromo-2-(4-ethylhexoxy)benzene (PubChem CID 141091967) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-bromo-2-(4-ethylhexoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(4-ethylhexoxy)benzene
PubChem CID141091967
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-bromo-2-(4-ethylhexoxy)benzene
SMILESCCC(CC)CCCOc1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-3-12(4-2)8-7-11-16-14-10-6-5-9-13(14)15/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyDUKDLBBVBSVUOG-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.04
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

1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
1-ethyl-4-[2-(4-ethylhexoxy)phenyl]benzene
CID 151976175
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
4-(2-bromophenoxy)butyl-methylazanium
CID 7454617
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
3-(2-bromophenoxy)propyl-triethoxysilane
CID 23271728
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
1-bromo-2-(butoxymethoxy)benzene
CID 15093582
[3,5-bis[2-(4-ethylhexoxy)phenyl]phenyl]boronic acid
CID 68644575

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-ethylhexoxy)benzene?
The IUPAC name of 1-bromo-2-(4-ethylhexoxy)benzene (CID 141091967) is 1-bromo-2-(4-ethylhexoxy)benzene.
What is the SMILES notation for 1-bromo-2-(4-ethylhexoxy)benzene?
The canonical SMILES for 1-bromo-2-(4-ethylhexoxy)benzene is CCC(CC)CCCOc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(4-ethylhexoxy)benzene?
The InChIKey is DUKDLBBVBSVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-3-12(4-2)8-7-11-16-14-10-6-5-9-13(14)15/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-bromo-2-(4-ethylhexoxy)benzene?
1-bromo-2-(4-ethylhexoxy)benzene has a molecular weight of 285.22 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-ethylhexoxy)benzene is sourced from PubChem (CID 141091967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).