(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane

C12H15BrO3S — CID 124627526

IUPAC(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane
SMILESCOc1ccc(Br)cc1[S@](=O)C[C@H]1CCCO1
InChIInChI=1S/C12H15BrO3S/c1-15-11-5-4-9(13)7-12(11)17(14)8-10-3-2-6-16-10/h4-5,7,10H,2-3,6,8H2,1H3/t10-,17-/m1/s1
InChIKeyDVCQIWZXQOJCIR-BMLIUANNSA-N
MW319.22 g/mol
LogP2.74
Rot. Bonds4

About (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane

(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane (PubChem CID 124627526) has the molecular formula C12H15BrO3S and a molecular weight of 319.22 g/mol. Its IUPAC name is (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane
PubChem CID124627526
Molecular FormulaC12H15BrO3S
Molecular Weight319.22 g/mol
Exact Mass317.99
IUPAC Name(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane
SMILESCOc1ccc(Br)cc1[S@](=O)C[C@H]1CCCO1
InChIInChI=1S/C12H15BrO3S/c1-15-11-5-4-9(13)7-12(11)17(14)8-10-3-2-6-16-10/h4-5,7,10H,2-3,6,8H2,1H3/t10-,17-/m1/s1
InChIKeyDVCQIWZXQOJCIR-BMLIUANNSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721
(2R)-2-[2-[(S)-(4,5-dimethoxy-2-methylphenyl)sulfinyl]ethyl]oxolane
CID 99858416
2-[2-(4,5-dimethoxy-2-methylphenyl)sulfinylethyl]oxolane
CID 91651416
4-bromo-1-methoxy-2-[(S)-methylsulfinyl]benzene
CID 165396744
1-(5-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115816968
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99826681
sodium 5-bromo-2-methoxybenzenesulfinate
CID 67162120
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane?
The IUPAC name of (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane (CID 124627526) is (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane.
What is the SMILES notation for (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane?
The canonical SMILES for (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane is COc1ccc(Br)cc1[S@](=O)C[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane?
The InChIKey is DVCQIWZXQOJCIR-BMLIUANNSA-N. The full InChI is InChI=1S/C12H15BrO3S/c1-15-11-5-4-9(13)7-12(11)17(14)8-10-3-2-6-16-10/h4-5,7,10H,2-3,6,8H2,1H3/t10-,17-/m1/s1.
What are the key properties of (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane?
(2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane has a molecular weight of 319.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-(5-bromo-2-methoxyphenyl)sulfinyl]methyl]oxolane is sourced from PubChem (CID 124627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).