[3-bromo-4-(oxan-3-yloxy)phenyl]methanol

C12H15BrO3 — CID 107135061

IUPAC[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
SMILESOCc1ccc(OC2CCCOC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyXRUFQGPLSWNATG-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.50
Rot. Bonds3

About [3-bromo-4-(oxan-3-yloxy)phenyl]methanol

[3-bromo-4-(oxan-3-yloxy)phenyl]methanol (PubChem CID 107135061) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is [3-bromo-4-(oxan-3-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
PubChem CID107135061
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
SMILESOCc1ccc(OC2CCCOC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyXRUFQGPLSWNATG-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

(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040
3-[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]oxane
CID 107135166
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
5-bromo-2-(oxan-3-yloxy)benzaldehyde
CID 107134803
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(oxan-3-yloxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(oxan-3-yloxy)phenyl]methanol (CID 107135061) is [3-bromo-4-(oxan-3-yloxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(oxan-3-yloxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(oxan-3-yloxy)phenyl]methanol is OCc1ccc(OC2CCCOC2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(oxan-3-yloxy)phenyl]methanol?
The InChIKey is XRUFQGPLSWNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h3-4,6,10,14H,1-2,5,7-8H2.
What are the key properties of [3-bromo-4-(oxan-3-yloxy)phenyl]methanol?
[3-bromo-4-(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 [3-bromo-4-(oxan-3-yloxy)phenyl]methanol is sourced from PubChem (CID 107135061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).