methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate

C11H12O4 — CID 10703555

IUPACmethyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccc(OC)cc2O1
InChIInChI=1S/C11H12O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-4,6,10H,5H2,1-2H3/t10-/m0/s1
InChIKeyBNUNWMBCLXKDEY-JTQLQIEISA-N
MW208.21 g/mol
LogP1.17
Rot. Bonds2

About methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate

methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 10703555) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID10703555
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccc(OC)cc2O1
InChIInChI=1S/C11H12O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-4,6,10H,5H2,1-2H3/t10-/m0/s1
InChIKeyBNUNWMBCLXKDEY-JTQLQIEISA-N
XLogP1.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
methyl 2,8-dimethoxy-5H-benzo[d][1,3]benzodioxocine-11-carboxylate
CID 22153861
methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165488753
methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 167839001
methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165466089
(2R,3R)-7-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 125449537
methyl 5-(bromomethyl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 88990215
2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
CID 102431090
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate (CID 10703555) is methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate is COC(=O)[C@@H]1Cc2ccc(OC)cc2O1.
What is the InChIKey of methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is BNUNWMBCLXKDEY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-4,6,10H,5H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate?
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 208.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 10703555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).