2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid

C11H12O4 — CID 117297220

IUPAC2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCOc1cc(CC(=O)O)cc2c1OCC2
InChIInChI=1S/C11H12O4/c1-14-9-5-7(6-10(12)13)4-8-2-3-15-11(8)9/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyUCJHBHFKSFYVKJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.26
Rot. Bonds3

About 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 117297220) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID117297220
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCOc1cc(CC(=O)O)cc2c1OCC2
InChIInChI=1S/C11H12O4/c1-14-9-5-7(6-10(12)13)4-8-2-3-15-11(8)9/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyUCJHBHFKSFYVKJ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Homovanillic Acid
CID 1738
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
3-Hydroxy-4-methoxybenzeneacetic acid
CID 160562
Ethyl homovanillate
CID 108965
4-Ethoxy-m-anisic acid
CID 77069
Homovanillic acid sulfate
CID 29981063
myrsinoic acid B
CID 10383781
3-(2,3-Dimethoxyphenyl)propanoic acid
CID 314929
3,4-Diethoxybenzoic acid
CID 79417
Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
CID 85213
3-(2,3,4-Trimethoxyphenyl)propionic acid
CID 118401
Furofenac
CID 42091

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 117297220) is 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid is COc1cc(CC(=O)O)cc2c1OCC2.
What is the InChIKey of 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is UCJHBHFKSFYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-9-5-7(6-10(12)13)4-8-2-3-15-11(8)9/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 117297220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).