(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane

C12H14Br2O3 — CID 125483390

IUPAC(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane
SMILESCOc1cc(Br)c(O[C@H]2CCCCO2)c(Br)c1
InChIInChI=1S/C12H14Br2O3/c1-15-8-6-9(13)12(10(14)7-8)17-11-4-2-3-5-16-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1
InChIKeyQEYJDGKGAFFXGS-NSHDSACASA-N
MW366.05 g/mol
LogP4.13
Rot. Bonds3

About (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane

(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane (PubChem CID 125483390) has the molecular formula C12H14Br2O3 and a molecular weight of 366.05 g/mol. Its IUPAC name is (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane.

Molecular Properties

Compound Name(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane
PubChem CID125483390
Molecular FormulaC12H14Br2O3
Molecular Weight366.05 g/mol
Exact Mass363.93
IUPAC Name(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane
SMILESCOc1cc(Br)c(O[C@H]2CCCCO2)c(Br)c1
InChIInChI=1S/C12H14Br2O3/c1-15-8-6-9(13)12(10(14)7-8)17-11-4-2-3-5-16-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1
InChIKeyQEYJDGKGAFFXGS-NSHDSACASA-N
XLogP4.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)oxolane
CID 135060561
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
2-(3-bromophenoxy)oxane
CID 5067264
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399
2-(3,4-dimethylphenoxy)oxane
CID 10987441
2-[4-[1-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]ethyl]phenoxy]oxane
CID 59724389
2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
CID 159621581
(2S)-2-(2-bromo-5-methylsulfonylphenoxy)oxane
CID 125486250
[3-bromo-4-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxy)phenyl]methyl acetate
CID 68985770
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane?
The IUPAC name of (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane (CID 125483390) is (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane.
What is the SMILES notation for (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane?
The canonical SMILES for (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane is COc1cc(Br)c(O[C@H]2CCCCO2)c(Br)c1.
What is the InChIKey of (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane?
The InChIKey is QEYJDGKGAFFXGS-NSHDSACASA-N. The full InChI is InChI=1S/C12H14Br2O3/c1-15-8-6-9(13)12(10(14)7-8)17-11-4-2-3-5-16-11/h6-7,11H,2-5H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane?
(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane has a molecular weight of 366.05 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane is sourced from PubChem (CID 125483390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).