2-(furan-3-yl)acetic acid

C6H6O3 — CID 818896

IUPAC2-(furan-3-yl)acetic acid
SMILESO=C(O)Cc1ccoc1
InChIInChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKeyUUUYAVXPERPSAI-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.91
Rot. Bonds2

About 2-(furan-3-yl)acetic acid

2-(furan-3-yl)acetic acid (PubChem CID 818896) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(furan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(furan-3-yl)acetic acid
PubChem CID818896
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2-(furan-3-yl)acetic acid
SMILESO=C(O)Cc1ccoc1
InChIInChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKeyUUUYAVXPERPSAI-UHFFFAOYSA-N
XLogP0.91
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Furan-3-yl)propanoic acid
CID 13310353
3-(Furan-3-yl)propan-1-ol
CID 13521238
2-(Furan-3-yl)ethan-1-ol
CID 642100
2-(Furan-3-yl)propanoic acid
CID 18421231
Methyl (furan-3-yl)acetate
CID 12327271
Methyl 3-(furan-3-yl)-3-hydroxypropanoate
CID 10103574
(5Z)-3-(3-furyl)-4-methyl-5-(2-methylpropylidene)furan-2-one
CID 156014465
3-Furanacetaldehyde
CID 11829386
Ethyl furan-3-propionate
CID 92549
8-(Furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
CID 162937476
Methyl 2-(furan-3-yl)-2-oxoacetate
CID 11651182
3-Furoylmethanol
CID 11974082

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)acetic acid?
The IUPAC name of 2-(furan-3-yl)acetic acid (CID 818896) is 2-(furan-3-yl)acetic acid.
What is the SMILES notation for 2-(furan-3-yl)acetic acid?
The canonical SMILES for 2-(furan-3-yl)acetic acid is O=C(O)Cc1ccoc1.
What is the InChIKey of 2-(furan-3-yl)acetic acid?
The InChIKey is UUUYAVXPERPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8).
What are the key properties of 2-(furan-3-yl)acetic acid?
2-(furan-3-yl)acetic acid has a molecular weight of 126.11 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)acetic acid is sourced from PubChem (CID 818896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).