1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene

C13H16Br2O — CID 103557717

IUPAC1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
SMILESCOC1(CC(Br)c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H16Br2O/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyWMBROSGOSRTPFZ-UHFFFAOYSA-N
MW348.08 g/mol
LogP4.84
Rot. Bonds4

About 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene

1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene (PubChem CID 103557717) has the molecular formula C13H16Br2O and a molecular weight of 348.08 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
PubChem CID103557717
Molecular FormulaC13H16Br2O
Molecular Weight348.08 g/mol
Exact Mass345.96
IUPAC Name1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
SMILESCOC1(CC(Br)c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H16Br2O/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyWMBROSGOSRTPFZ-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
6-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
CID 103557780
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,3,5-trimethylbenzene
CID 103557742
8-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 103557871
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
CID 103557841
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557775
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
CID 103557644

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene (CID 103557717) is 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene is COC1(CC(Br)c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene?
The InChIKey is WMBROSGOSRTPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene?
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene has a molecular weight of 348.08 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene is sourced from PubChem (CID 103557717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).