(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid

C12H14O4 — CID 104875432

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
SMILESC[C@@H](OCC1Cc2ccccc2O1)C(=O)O
InChIInChI=1S/C12H14O4/c1-8(12(13)14)15-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10H,6-7H2,1H3,(H,13,14)/t8-,10?/m1/s1
InChIKeyMFKXSDMOIZKYNC-HNHGDDPOSA-N
MW222.24 g/mol
LogP1.48
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid

(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid (PubChem CID 104875432) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
PubChem CID104875432
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
SMILESC[C@@H](OCC1Cc2ccccc2O1)C(=O)O
InChIInChI=1S/C12H14O4/c1-8(12(13)14)15-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10H,6-7H2,1H3,(H,13,14)/t8-,10?/m1/s1
InChIKeyMFKXSDMOIZKYNC-HNHGDDPOSA-N
XLogP1.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104875531
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104876369
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
2,3-dihydro-1-benzofuran-2-ylmethyl 3,5-diaminobenzoate
CID 66365761
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)butanoic acid
CID 66348378
2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate
CID 167893376
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
CID 106488473
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
(2R)-2-(3,4-dihydro-1H-isochromen-1-ylmethoxy)propanoic acid
CID 104875344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid (CID 104875432) is (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid is C[C@@H](OCC1Cc2ccccc2O1)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid?
The InChIKey is MFKXSDMOIZKYNC-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(12(13)14)15-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10H,6-7H2,1H3,(H,13,14)/t8-,10?/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid?
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 104875432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).