[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol

C15H19BrO2 — CID 116875023

IUPAC[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
SMILESCc1ccc(Br)cc1C1(C2(CO)CCC2)COC1
InChIInChI=1S/C15H19BrO2/c1-11-3-4-12(16)7-13(11)15(9-18-10-15)14(8-17)5-2-6-14/h3-4,7,17H,2,5-6,8-10H2,1H3
InChIKeyZGXZUCFWHXODCF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.19
Rot. Bonds3

About [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol

[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol (PubChem CID 116875023) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
PubChem CID116875023
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
SMILESCc1ccc(Br)cc1C1(C2(CO)CCC2)COC1
InChIInChI=1S/C15H19BrO2/c1-11-3-4-12(16)7-13(11)15(9-18-10-15)14(8-17)5-2-6-14/h3-4,7,17H,2,5-6,8-10H2,1H3
InChIKeyZGXZUCFWHXODCF-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875156
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033
1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
CID 116874974
methyl 1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclopropane-1-carboxylate
CID 116875059
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874743
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol?
The IUPAC name of [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol (CID 116875023) is [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol is Cc1ccc(Br)cc1C1(C2(CO)CCC2)COC1.
What is the InChIKey of [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol?
The InChIKey is ZGXZUCFWHXODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-11-3-4-12(16)7-13(11)15(9-18-10-15)14(8-17)5-2-6-14/h3-4,7,17H,2,5-6,8-10H2,1H3.
What are the key properties of [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol?
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol has a molecular weight of 311.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol is sourced from PubChem (CID 116875023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).