[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol

C14H17BrO3 — CID 116874725

IUPAC[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1ccc(Br)cc1C1(C2(CO)CC2)COC1
InChIInChI=1S/C14H17BrO3/c1-17-12-3-2-10(15)6-11(12)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyZUNUWXYCCIWYNF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.50
Rot. Bonds4

About [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol

[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol (PubChem CID 116874725) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
PubChem CID116874725
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1ccc(Br)cc1C1(C2(CO)CC2)COC1
InChIInChI=1S/C14H17BrO3/c1-17-12-3-2-10(15)6-11(12)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyZUNUWXYCCIWYNF-UHFFFAOYSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874689
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
CID 116875023
[3-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875156
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874743
methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444
ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
CID 116870417

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol (CID 116874725) is [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol is COc1ccc(Br)cc1C1(C2(CO)CC2)COC1.
What is the InChIKey of [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The InChIKey is ZUNUWXYCCIWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-17-12-3-2-10(15)6-11(12)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3.
What are the key properties of [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol has a molecular weight of 313.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 116874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).