2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid

C14H14O4 — CID 878489

IUPAC2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)O
InChIInChI=1S/C14H14O4/c1-14(2,13(15)16)18-11-7-5-10(6-8-11)12-4-3-9-17-12/h3-9H,1-2H3,(H,15,16)
InChIKeyFVEIRTGLVWCNCX-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.19
Rot. Bonds4

About 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid

2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid (PubChem CID 878489) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid
PubChem CID878489
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)O
InChIInChI=1S/C14H14O4/c1-14(2,13(15)16)18-11-7-5-10(6-8-11)12-4-3-9-17-12/h3-9H,1-2H3,(H,15,16)
InChIKeyFVEIRTGLVWCNCX-UHFFFAOYSA-N
XLogP3.19
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-2-[4-(furan-2-yl)phenoxy]-4-phenylbutanoic acid
CID 67031242
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
CID 131878857
CID 131878857
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
2-[4-[(E)-C-(furan-2-yl)-N-propoxycarbonimidoyl]phenoxy]-2-methylpropanoic acid
CID 88772153
ethane;2-phenylfuran
CID 143157762
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
4-(furan-2-yl)benzoyl chloride
CID 7537504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid (CID 878489) is 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid?
The InChIKey is FVEIRTGLVWCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-14(2,13(15)16)18-11-7-5-10(6-8-11)12-4-3-9-17-12/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid?
2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid has a molecular weight of 246.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 878489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).