2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid

C11H16O3 — CID 82399608

IUPAC2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid
SMILESCc1cc(CC(=O)O)oc1CC(C)C
InChIInChI=1S/C11H16O3/c1-7(2)4-10-8(3)5-9(14-10)6-11(12)13/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyQFXYKCAZVQBGPP-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid

2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid (PubChem CID 82399608) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid
PubChem CID82399608
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid
SMILESCc1cc(CC(=O)O)oc1CC(C)C
InChIInChI=1S/C11H16O3/c1-7(2)4-10-8(3)5-9(14-10)6-11(12)13/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyQFXYKCAZVQBGPP-UHFFFAOYSA-N
XLogP2.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid (CID 82399608) is 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid is Cc1cc(CC(=O)O)oc1CC(C)C.
What is the InChIKey of 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid?
The InChIKey is QFXYKCAZVQBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(2)4-10-8(3)5-9(14-10)6-11(12)13/h5,7H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid?
2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid has a molecular weight of 196.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(2-methylpropyl)furan-2-yl]acetic acid is sourced from PubChem (CID 82399608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).