[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol

C11H12F2O3 — CID 116829775

IUPAC[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(F)c(C2(CO)COC2)cc1F
InChIInChI=1S/C11H12F2O3/c1-15-10-3-8(12)7(2-9(10)13)11(4-14)5-16-6-11/h2-3,14H,4-6H2,1H3
InChIKeyHIIRKKWHSXJQEH-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.23
Rot. Bonds3

About [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol

[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol (PubChem CID 116829775) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
PubChem CID116829775
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(F)c(C2(CO)COC2)cc1F
InChIInChI=1S/C11H12F2O3/c1-15-10-3-8(12)7(2-9(10)13)11(4-14)5-16-6-11/h2-3,14H,4-6H2,1H3
InChIKeyHIIRKKWHSXJQEH-UHFFFAOYSA-N
XLogP1.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
CID 116873775
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
CID 116870765
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol (CID 116829775) is [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol is COc1cc(F)c(C2(CO)COC2)cc1F.
What is the InChIKey of [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol?
The InChIKey is HIIRKKWHSXJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-15-10-3-8(12)7(2-9(10)13)11(4-14)5-16-6-11/h2-3,14H,4-6H2,1H3.
What are the key properties of [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol?
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol has a molecular weight of 230.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).