3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol

C12H15BrO3 — CID 104673747

IUPAC3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1OCc1ccccc1Br
InChIInChI=1S/C12H15BrO3/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12,14H,6-7H2,1H3
InChIKeyDZEWYTODIVGLBF-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.11
Rot. Bonds4

About 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol

3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol (PubChem CID 104673747) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
PubChem CID104673747
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1OCc1ccccc1Br
InChIInChI=1S/C12H15BrO3/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12,14H,6-7H2,1H3
InChIKeyDZEWYTODIVGLBF-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol (CID 104673747) is 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol is COC1C(O)CC1OCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol?
The InChIKey is DZEWYTODIVGLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12,14H,6-7H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol?
3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol has a molecular weight of 287.15 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 104673747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).