2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene

C14H19BrO4 — CID 104675482

IUPAC2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
SMILESCCOC1C(Br)CC1Oc1c(OC)cccc1OC
InChIInChI=1S/C14H19BrO4/c1-4-18-13-9(15)8-12(13)19-14-10(16-2)6-5-7-11(14)17-3/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyFJTXQOZWNWALNA-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.02
Rot. Bonds6

About 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene

2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene (PubChem CID 104675482) has the molecular formula C14H19BrO4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
PubChem CID104675482
Molecular FormulaC14H19BrO4
Molecular Weight331.21 g/mol
Exact Mass330.05
IUPAC Name2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
SMILESCCOC1C(Br)CC1Oc1c(OC)cccc1OC
InChIInChI=1S/C14H19BrO4/c1-4-18-13-9(15)8-12(13)19-14-10(16-2)6-5-7-11(14)17-3/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyFJTXQOZWNWALNA-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethoxyphenoxy)-2-ethoxycyclobutan-1-ol
CID 104675270
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
1-(3-bromo-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675687
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,4-dichlorobenzene
CID 104675489
2-bromo-1-(3-bromo-2-ethoxycyclobutyl)oxy-4-methylbenzene
CID 104675645
1-(3-bromo-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276832
2-(3-bromo-2-methoxycyclobutyl)oxy-1,3-difluorobenzene
CID 104674156
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943835
1-(3-bromo-2-ethoxycyclobutyl)oxy-4-butylbenzene
CID 113439965
2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 107943085
1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
CID 104673871

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene?
The IUPAC name of 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene (CID 104675482) is 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene?
The canonical SMILES for 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene is CCOC1C(Br)CC1Oc1c(OC)cccc1OC.
What is the InChIKey of 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene?
The InChIKey is FJTXQOZWNWALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO4/c1-4-18-13-9(15)8-12(13)19-14-10(16-2)6-5-7-11(14)17-3/h5-7,9,12-13H,4,8H2,1-3H3.
What are the key properties of 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene?
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene has a molecular weight of 331.21 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene is sourced from PubChem (CID 104675482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).