[5-bromo-2-(oxan-3-yloxy)phenyl]methanol

C12H15BrO3 — CID 107135040

IUPAC[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C12H15BrO3/c13-10-3-4-12(9(6-10)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeySTJCWLOREWOOSL-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.50
Rot. Bonds3

About [5-bromo-2-(oxan-3-yloxy)phenyl]methanol

[5-bromo-2-(oxan-3-yloxy)phenyl]methanol (PubChem CID 107135040) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is [5-bromo-2-(oxan-3-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
PubChem CID107135040
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C12H15BrO3/c13-10-3-4-12(9(6-10)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeySTJCWLOREWOOSL-UHFFFAOYSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
5-bromo-2-(oxan-3-yloxy)benzaldehyde
CID 107134803
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
(E)-3-[5-bromo-2-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135193
[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
CID 64738178
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
[5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]methanol
CID 64735922
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(oxan-3-yloxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(oxan-3-yloxy)phenyl]methanol (CID 107135040) is [5-bromo-2-(oxan-3-yloxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(oxan-3-yloxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(oxan-3-yloxy)phenyl]methanol is OCc1cc(Br)ccc1OC1CCCOC1.
What is the InChIKey of [5-bromo-2-(oxan-3-yloxy)phenyl]methanol?
The InChIKey is STJCWLOREWOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-10-3-4-12(9(6-10)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,14H,1-2,5,7-8H2.
What are the key properties of [5-bromo-2-(oxan-3-yloxy)phenyl]methanol?
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol has a molecular weight of 287.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(oxan-3-yloxy)phenyl]methanol is sourced from PubChem (CID 107135040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).