[5-(4-methoxyphenyl)furan-2-yl] acetate

C13H12O4 — CID 56931214

IUPAC[5-(4-methoxyphenyl)furan-2-yl] acetate
SMILESCOc1ccc(-c2ccc(OC(C)=O)o2)cc1
InChIInChI=1S/C13H12O4/c1-9(14)16-13-8-7-12(17-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyXURXPDUCXAWGLJ-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.88
Rot. Bonds3

About [5-(4-methoxyphenyl)furan-2-yl] acetate

[5-(4-methoxyphenyl)furan-2-yl] acetate (PubChem CID 56931214) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)furan-2-yl] acetate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)furan-2-yl] acetate
PubChem CID56931214
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name[5-(4-methoxyphenyl)furan-2-yl] acetate
SMILESCOc1ccc(-c2ccc(OC(C)=O)o2)cc1
InChIInChI=1S/C13H12O4/c1-9(14)16-13-8-7-12(17-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyXURXPDUCXAWGLJ-UHFFFAOYSA-N
XLogP2.88
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
[5-(3-chlorophenyl)furan-2-yl] acetate
CID 174501169
2-tert-butyl-5-(4-methoxyphenyl)furan
CID 59671510
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 776100
2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
CID 3007922
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate
CID 91375942

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)furan-2-yl] acetate?
The IUPAC name of [5-(4-methoxyphenyl)furan-2-yl] acetate (CID 56931214) is [5-(4-methoxyphenyl)furan-2-yl] acetate.
What is the SMILES notation for [5-(4-methoxyphenyl)furan-2-yl] acetate?
The canonical SMILES for [5-(4-methoxyphenyl)furan-2-yl] acetate is COc1ccc(-c2ccc(OC(C)=O)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)furan-2-yl] acetate?
The InChIKey is XURXPDUCXAWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-9(14)16-13-8-7-12(17-13)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)furan-2-yl] acetate?
[5-(4-methoxyphenyl)furan-2-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)furan-2-yl] acetate is sourced from PubChem (CID 56931214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).