(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

C10H10O4 — CID 10686807

IUPAC(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)O[C@H](C(=O)O)C2
InChIInChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyZYQCKPKFAFHUSJ-VIFPVBQESA-N
MW194.19 g/mol
LogP1.08
Rot. Bonds2

About (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid

(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 10686807) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID10686807
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc2c(c1)O[C@H](C(=O)O)C2
InChIInChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyZYQCKPKFAFHUSJ-VIFPVBQESA-N
XLogP1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
(2R,3R)-7-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 125449537
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
7-methoxy-3-oxo-4H-chromene-2-carboxylic acid
CID 163210728
6-hept-6-enoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 107005965
2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
CID 102431090
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
methyl 2,8-dimethoxy-5H-benzo[d][1,3]benzodioxocine-11-carboxylate
CID 22153861
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
5,6-difluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165462905
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 10686807) is (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is COc1ccc2c(c1)O[C@H](C(=O)O)C2.
What is the InChIKey of (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is ZYQCKPKFAFHUSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O4/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-3,5,9H,4H2,1H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid?
(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 10686807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).