2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate

C10H9O4- — CID 7304761

IUPAC2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
SMILESO=C([O-])C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H,11,12)/p-1/t7-/m1/s1
InChIKeyNPEFMXMRSFIHKN-SSDOTTSWSA-M
MW193.18 g/mol
LogP-0.03
Rot. Bonds2

About 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate (PubChem CID 7304761) has the molecular formula C10H9O4- and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate.

Molecular Properties

Compound Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
PubChem CID7304761
Molecular FormulaC10H9O4-
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
SMILESO=C([O-])C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C10H10O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H,11,12)/p-1/t7-/m1/s1
InChIKeyNPEFMXMRSFIHKN-SSDOTTSWSA-M
XLogP-0.03
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
CID 7332710
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(2-methylpropyl)acetamide
CID 29140761
N-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
CID 845205
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
CID 969642
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butanamide
CID 110185473
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-[3-(fluoromethyl)pyrrolidin-1-yl]ethanone
CID 163351429

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate?
The IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate (CID 7304761) is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate.
What is the SMILES notation for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate?
The canonical SMILES for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate is O=C([O-])C[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate?
The InChIKey is NPEFMXMRSFIHKN-SSDOTTSWSA-M. The full InChI is InChI=1S/C10H10O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H,11,12)/p-1/t7-/m1/s1.
What are the key properties of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate?
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate has a molecular weight of 193.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate is sourced from PubChem (CID 7304761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).