2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C11H12O3 — CID 98789085

IUPAC2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1ccc2c(c1)OC[C@@H]2CC(=O)O
InChIInChI=1S/C11H12O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyMEWWPFWHTAVUFI-QMMMGPOBSA-N
MW192.21 g/mol
LogP1.95
Rot. Bonds2

About 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 98789085) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID98789085
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1ccc2c(c1)OC[C@@H]2CC(=O)O
InChIInChI=1S/C11H12O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyMEWWPFWHTAVUFI-QMMMGPOBSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-2,3-dihydro-1-benzofuran-3-yl)acetic acid
CID 83754448
2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 123398259
2-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanol
CID 90443762
2-[(3R)-6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 125300617
2-[(3S)-6-[(6-methyl-1,3-benzodioxol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 170016620
2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 99984769
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117201770
2-[(3S)-6-[2-[3-(2,6-dimethylphenyl)-2-hydroxyphenyl]ethyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 161452999
2-(3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622890

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 98789085) is 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1ccc2c(c1)OC[C@@H]2CC(=O)O.
What is the InChIKey of 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is MEWWPFWHTAVUFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 98789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).