[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate

C10H12O4S — CID 11195526

IUPAC[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C10H12O4S/c1-15(11,12)13-7-9-6-8-4-2-3-5-10(8)14-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1
InChIKeyNTZWKANUHMRDCQ-SECBINFHSA-N
MW228.27 g/mol
LogP0.97
Rot. Bonds3

About [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate

[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate (PubChem CID 11195526) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
PubChem CID11195526
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C10H12O4S/c1-15(11,12)13-7-9-6-8-4-2-3-5-10(8)14-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1
InChIKeyNTZWKANUHMRDCQ-SECBINFHSA-N
XLogP0.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
5-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-methylpiperidine
CID 66363596
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate (CID 11195526) is [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1Cc2ccccc2O1.
What is the InChIKey of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate?
The InChIKey is NTZWKANUHMRDCQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O4S/c1-15(11,12)13-7-9-6-8-4-2-3-5-10(8)14-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate?
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate has a molecular weight of 228.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate is sourced from PubChem (CID 11195526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).