1-bromo-3-(2-propylpentoxy)benzene

C14H21BrO — CID 67316784

IUPAC1-bromo-3-(2-propylpentoxy)benzene
SMILESCCCC(CCC)COc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-3-6-12(7-4-2)11-16-14-9-5-8-13(15)10-14/h5,8-10,12H,3-4,6-7,11H2,1-2H3
InChIKeyFGQPXJICTJHHMR-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.04
Rot. Bonds7

About 1-bromo-3-(2-propylpentoxy)benzene

1-bromo-3-(2-propylpentoxy)benzene (PubChem CID 67316784) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-bromo-3-(2-propylpentoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-propylpentoxy)benzene
PubChem CID67316784
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-bromo-3-(2-propylpentoxy)benzene
SMILESCCCC(CCC)COc1cccc(Br)c1
InChIInChI=1S/C14H21BrO/c1-3-6-12(7-4-2)11-16-14-9-5-8-13(15)10-14/h5,8-10,12H,3-4,6-7,11H2,1-2H3
InChIKeyFGQPXJICTJHHMR-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

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Related Compounds

(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
1-bromo-4-[2-(bromomethyl)pentoxy]benzene
CID 65010976
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-bromo-3-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611004
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-propylpentoxy)benzene?
The IUPAC name of 1-bromo-3-(2-propylpentoxy)benzene (CID 67316784) is 1-bromo-3-(2-propylpentoxy)benzene.
What is the SMILES notation for 1-bromo-3-(2-propylpentoxy)benzene?
The canonical SMILES for 1-bromo-3-(2-propylpentoxy)benzene is CCCC(CCC)COc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-propylpentoxy)benzene?
The InChIKey is FGQPXJICTJHHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-3-6-12(7-4-2)11-16-14-9-5-8-13(15)10-14/h5,8-10,12H,3-4,6-7,11H2,1-2H3.
What are the key properties of 1-bromo-3-(2-propylpentoxy)benzene?
1-bromo-3-(2-propylpentoxy)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-3-(2-propylpentoxy)benzene is sourced from PubChem (CID 67316784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).