2-[4,5-di(ethylidene)furan-3-yl]acetic acid

C10H12O3 — CID 123299933

IUPAC2-[4,5-di(ethylidene)furan-3-yl]acetic acid
SMILESCC=c1occ(CC(=O)O)c1=CC
InChIInChI=1S/C10H12O3/c1-3-8-7(5-10(11)12)6-13-9(8)4-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeySEOVQAIOYOIVPR-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.51
Rot. Bonds2

About 2-[4,5-di(ethylidene)furan-3-yl]acetic acid

2-[4,5-di(ethylidene)furan-3-yl]acetic acid (PubChem CID 123299933) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[4,5-di(ethylidene)furan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,5-di(ethylidene)furan-3-yl]acetic acid
PubChem CID123299933
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[4,5-di(ethylidene)furan-3-yl]acetic acid
SMILESCC=c1occ(CC(=O)O)c1=CC
InChIInChI=1S/C10H12O3/c1-3-8-7(5-10(11)12)6-13-9(8)4-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeySEOVQAIOYOIVPR-UHFFFAOYSA-N
XLogP0.51
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(ethylidene)furan-3-yl]acetic acid?
The IUPAC name of 2-[4,5-di(ethylidene)furan-3-yl]acetic acid (CID 123299933) is 2-[4,5-di(ethylidene)furan-3-yl]acetic acid.
What is the SMILES notation for 2-[4,5-di(ethylidene)furan-3-yl]acetic acid?
The canonical SMILES for 2-[4,5-di(ethylidene)furan-3-yl]acetic acid is CC=c1occ(CC(=O)O)c1=CC.
What is the InChIKey of 2-[4,5-di(ethylidene)furan-3-yl]acetic acid?
The InChIKey is SEOVQAIOYOIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-8-7(5-10(11)12)6-13-9(8)4-2/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[4,5-di(ethylidene)furan-3-yl]acetic acid?
2-[4,5-di(ethylidene)furan-3-yl]acetic acid has a molecular weight of 180.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-di(ethylidene)furan-3-yl]acetic acid is sourced from PubChem (CID 123299933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).