1-bromo-4-(1-pentan-2-yloxyethyl)benzene

C13H19BrO — CID 123476131

IUPAC1-bromo-4-(1-pentan-2-yloxyethyl)benzene
SMILESCCCC(C)OC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyLGXLGCIZUIJDJK-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.72
Rot. Bonds5

About 1-bromo-4-(1-pentan-2-yloxyethyl)benzene

1-bromo-4-(1-pentan-2-yloxyethyl)benzene (PubChem CID 123476131) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-bromo-4-(1-pentan-2-yloxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-pentan-2-yloxyethyl)benzene
PubChem CID123476131
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name1-bromo-4-(1-pentan-2-yloxyethyl)benzene
SMILESCCCC(C)OC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyLGXLGCIZUIJDJK-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
2-(4-bromophenyl)-2-octan-2-yloxyethanamine
CID 55193958
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
1-decan-2-yloxyethylbenzene
CID 102455455
O-[1-(4-bromophenyl)ethyl]hydroxylamine
CID 82024183
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
2-pentan-3-yloxypentane
CID 91256227
ethyl 2-(4-bromophenyl)-2-isocyanoacetate
CID 139260188
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-pentan-2-yloxyethyl)benzene?
The IUPAC name of 1-bromo-4-(1-pentan-2-yloxyethyl)benzene (CID 123476131) is 1-bromo-4-(1-pentan-2-yloxyethyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-pentan-2-yloxyethyl)benzene?
The canonical SMILES for 1-bromo-4-(1-pentan-2-yloxyethyl)benzene is CCCC(C)OC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-pentan-2-yloxyethyl)benzene?
The InChIKey is LGXLGCIZUIJDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-bromo-4-(1-pentan-2-yloxyethyl)benzene?
1-bromo-4-(1-pentan-2-yloxyethyl)benzene has a molecular weight of 271.20 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-pentan-2-yloxyethyl)benzene is sourced from PubChem (CID 123476131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).