2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene

C14H18Br2O3 — CID 107943085

IUPAC2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
SMILESCCCOC1C(Br)CC1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H18Br2O3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8H2,1-2H3
InChIKeyRWKAXHVBEUKJIG-UHFFFAOYSA-N
MW394.10 g/mol
LogP4.17
Rot. Bonds6

About 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene

2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene (PubChem CID 107943085) has the molecular formula C14H18Br2O3 and a molecular weight of 394.10 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
PubChem CID107943085
Molecular FormulaC14H18Br2O3
Molecular Weight394.10 g/mol
Exact Mass391.96
IUPAC Name2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
SMILESCCCOC1C(Br)CC1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H18Br2O3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8H2,1-2H3
InChIKeyRWKAXHVBEUKJIG-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
5-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-2,3-difluorobenzene
CID 107943139
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-methoxybenzene
CID 104673856
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
1-bromo-3-ethoxy-2-propoxycyclobutane
CID 107942786
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
CID 104673871
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene?
The IUPAC name of 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene (CID 107943085) is 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene is CCCOC1C(Br)CC1Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene?
The InChIKey is RWKAXHVBEUKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O3/c1-3-6-18-14-11(16)8-13(14)19-12-5-4-9(17-2)7-10(12)15/h4-5,7,11,13-14H,3,6,8H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene?
2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene has a molecular weight of 394.10 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene is sourced from PubChem (CID 107943085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).