2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C11H12O4 — CID 129361652

IUPAC2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc2c(c1)[C@H](CC(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-8-2-3-10-9(5-8)7(6-15-10)4-11(12)13/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyNZHDKXOGTJCWHE-SSDOTTSWSA-N
MW208.21 g/mol
LogP1.65
Rot. Bonds3

About 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 129361652) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID129361652
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc2c(c1)[C@H](CC(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-8-2-3-10-9(5-8)7(6-15-10)4-11(12)13/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyNZHDKXOGTJCWHE-SSDOTTSWSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
2-[(3R)-6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 125300617
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 18986552
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 98789085
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 99984769

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 129361652) is 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid is COc1ccc2c(c1)[C@H](CC(=O)O)CO2.
What is the InChIKey of 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is NZHDKXOGTJCWHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-8-2-3-10-9(5-8)7(6-15-10)4-11(12)13/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 129361652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).