(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol

C10H12O4 — CID 102028593

IUPAC(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
SMILESCO[C@H](CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10-11H,5-6H2,1H3/t10-/m1/s1
InChIKeyAUUSJZKVLVNYSO-SNVBAGLBSA-N
MW196.20 g/mol
LogP1.10
Rot. Bonds3

About (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol

(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol (PubChem CID 102028593) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol.

Molecular Properties

Compound Name(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
PubChem CID102028593
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol
SMILESCO[C@H](CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10-11H,5-6H2,1H3/t10-/m1/s1
InChIKeyAUUSJZKVLVNYSO-SNVBAGLBSA-N
XLogP1.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
7-(2-hydroxy-1-methoxyethyl)-4,11,17,20,25-pentaoxa-1,14-diazatricyclo[12.8.5.05,10]heptacosa-5(10),6,8-triene-2,13-dione
CID 89446871
1-(1,3-benzodioxol-5-yl)-1-methoxypropan-2-one
CID 14794258
2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
2-(1,3-benzodioxol-5-yl)-2-[4-(methylperoxymethyl)-2-propylphenoxy]ethanol
CID 54128064
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
4-[(1S)-2-hydroxy-1-methoxyethyl]benzene-1,2-diol
CID 86333779
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
(2R)-2-amino-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxypropanamide
CID 129077537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol?
The IUPAC name of (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol (CID 102028593) is (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol.
What is the SMILES notation for (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol?
The canonical SMILES for (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol is CO[C@H](CO)c1ccc2c(c1)OCO2.
What is the InChIKey of (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol?
The InChIKey is AUUSJZKVLVNYSO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O4/c1-12-10(5-11)7-2-3-8-9(4-7)14-6-13-8/h2-4,10-11H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol?
(2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol has a molecular weight of 196.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanol is sourced from PubChem (CID 102028593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).