3-(2-bromo-5-methoxyphenyl)oxetane

C10H11BrO2 — CID 172992069

IUPAC3-(2-bromo-5-methoxyphenyl)oxetane
SMILESCOc1ccc(Br)c(C2COC2)c1
InChIInChI=1S/C10H11BrO2/c1-12-8-2-3-10(11)9(4-8)7-5-13-6-7/h2-4,7H,5-6H2,1H3
InChIKeyFNSNXGTWFLQXAL-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-bromo-5-methoxyphenyl)oxetane

3-(2-bromo-5-methoxyphenyl)oxetane (PubChem CID 172992069) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)oxetane.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)oxetane
PubChem CID172992069
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-(2-bromo-5-methoxyphenyl)oxetane
SMILESCOc1ccc(Br)c(C2COC2)c1
InChIInChI=1S/C10H11BrO2/c1-12-8-2-3-10(11)9(4-8)7-5-13-6-7/h2-4,7H,5-6H2,1H3
InChIKeyFNSNXGTWFLQXAL-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene
CID 58558467
3-(3-methoxyphenyl)oxetane
CID 130113867
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(2S)-2-(2-bromo-5-methoxyphenyl)piperazine;hydrochloride
CID 171193714
4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
CID 66235288
3-(2-bromo-4-methylphenyl)oxetane
CID 172992066
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223009
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
2-(2-bromo-5-methoxyphenyl)-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 59837550

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)oxetane?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)oxetane (CID 172992069) is 3-(2-bromo-5-methoxyphenyl)oxetane.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)oxetane?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)oxetane is COc1ccc(Br)c(C2COC2)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)oxetane?
The InChIKey is FNSNXGTWFLQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-12-8-2-3-10(11)9(4-8)7-5-13-6-7/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)oxetane?
3-(2-bromo-5-methoxyphenyl)oxetane has a molecular weight of 243.10 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)oxetane is sourced from PubChem (CID 172992069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).