2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid

C11H12O3 — CID 117203462

IUPAC2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCC1COc2ccc(CC(=O)O)cc21
InChIInChI=1S/C11H12O3/c1-7-6-14-10-3-2-8(4-9(7)10)5-11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQUHSPKOLAYNJAS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.81
Rot. Bonds2

About 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 117203462) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID117203462
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCC1COc2ccc(CC(=O)O)cc21
InChIInChI=1S/C11H12O3/c1-7-6-14-10-3-2-8(4-9(7)10)5-11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQUHSPKOLAYNJAS-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetic acid
CID 19857302
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
3-methyl-2,3-dihydro-1-benzofuran-5-thiol
CID 155261995
2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203359
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
3-(3,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82233193
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
4-(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)butanoic acid
CID 82233196
2-(3,3-dimethyl-2H-1-benzofuran-6-yl)acetic acid
CID 151857568
2-[11-(1,2,2,3,3-pentahydroxypropyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid
CID 91385080
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
CID 165354380

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 117203462) is 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid is CC1COc2ccc(CC(=O)O)cc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is QUHSPKOLAYNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-6-14-10-3-2-8(4-9(7)10)5-11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 117203462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).