3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol

C11H12BrFO3 — CID 104673626

IUPAC3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO3/c1-15-11-8(14)5-10(11)16-9-3-2-6(12)4-7(9)13/h2-4,8,10-11,14H,5H2,1H3
InChIKeyUJLCXUUCPSJZSB-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.12
Rot. Bonds3

About 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol

3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol (PubChem CID 104673626) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
PubChem CID104673626
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO3/c1-15-11-8(14)5-10(11)16-9-3-2-6(12)4-7(9)13/h2-4,8,10-11,14H,5H2,1H3
InChIKeyUJLCXUUCPSJZSB-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
3-(2,5-dibromo-4-methoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 113439674
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 107942604
methyl (2S,4R)-4-(4-bromo-2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 24902883
4-bromo-2-(3-chloro-2-methoxycyclobutyl)oxy-1-methylbenzene
CID 107287257
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
3-(4-bromo-2-fluorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66367646
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990
propan-2-yl (1S)-3-(4-bromo-2-fluorophenoxy)cyclohexane-1-carboxylate
CID 166853099
3-(3-bromo-5-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 103589555

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol (CID 104673626) is 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol is COC1C(O)CC1Oc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol?
The InChIKey is UJLCXUUCPSJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-15-11-8(14)5-10(11)16-9-3-2-6(12)4-7(9)13/h2-4,8,10-11,14H,5H2,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol?
3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol has a molecular weight of 291.12 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 104673626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).