(3R)-3-(4-bromo-3-methylphenoxy)oxolane

C11H13BrO2 — CID 138986690

IUPAC(3R)-3-(4-bromo-3-methylphenoxy)oxolane
SMILESCc1cc(O[C@@H]2CCOC2)ccc1Br
InChIInChI=1S/C11H13BrO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyLRPVEBATQOEJCJ-SNVBAGLBSA-N
MW257.13 g/mol
LogP2.93
Rot. Bonds2

About (3R)-3-(4-bromo-3-methylphenoxy)oxolane

(3R)-3-(4-bromo-3-methylphenoxy)oxolane (PubChem CID 138986690) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is (3R)-3-(4-bromo-3-methylphenoxy)oxolane.

Molecular Properties

Compound Name(3R)-3-(4-bromo-3-methylphenoxy)oxolane
PubChem CID138986690
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name(3R)-3-(4-bromo-3-methylphenoxy)oxolane
SMILESCc1cc(O[C@@H]2CCOC2)ccc1Br
InChIInChI=1S/C11H13BrO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyLRPVEBATQOEJCJ-SNVBAGLBSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
(3R)-3-(4-bromo-3,5-dimethylphenoxy)oxolane;(3S)-oxolan-3-ol
CID 159598588
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
3-[4-(4-chlorobut-1-ynyl)-3-methylphenoxy]oxolane
CID 83134329
[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone
CID 69261050
2-methyl-6-(oxolan-3-yloxy)isoquinolin-2-ium
CID 21418206
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(3S)-3-[4-[(2-bromo-5-iodophenyl)methyl]phenoxy]oxolane
CID 150047331

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromo-3-methylphenoxy)oxolane?
The IUPAC name of (3R)-3-(4-bromo-3-methylphenoxy)oxolane (CID 138986690) is (3R)-3-(4-bromo-3-methylphenoxy)oxolane.
What is the SMILES notation for (3R)-3-(4-bromo-3-methylphenoxy)oxolane?
The canonical SMILES for (3R)-3-(4-bromo-3-methylphenoxy)oxolane is Cc1cc(O[C@@H]2CCOC2)ccc1Br.
What is the InChIKey of (3R)-3-(4-bromo-3-methylphenoxy)oxolane?
The InChIKey is LRPVEBATQOEJCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(4-bromo-3-methylphenoxy)oxolane?
(3R)-3-(4-bromo-3-methylphenoxy)oxolane has a molecular weight of 257.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromo-3-methylphenoxy)oxolane is sourced from PubChem (CID 138986690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).