3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid

C15H16O5 — CID 166242273

IUPAC3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1ccco1
InChIInChI=1S/C15H16O5/c1-3-6-20-14-11(12-5-4-7-19-12)8-10(15(16)17)9-13(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyAMUPAHKDLBHJKV-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.44
Rot. Bonds6

About 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid

3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid (PubChem CID 166242273) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
PubChem CID166242273
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1ccco1
InChIInChI=1S/C15H16O5/c1-3-6-20-14-11(12-5-4-7-19-12)8-10(15(16)17)9-13(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyAMUPAHKDLBHJKV-UHFFFAOYSA-N
XLogP3.44
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid?
The IUPAC name of 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid (CID 166242273) is 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid.
What is the SMILES notation for 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid?
The canonical SMILES for 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid is CCCOc1c(OC)cc(C(=O)O)cc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid?
The InChIKey is AMUPAHKDLBHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-6-20-14-11(12-5-4-7-19-12)8-10(15(16)17)9-13(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid?
3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid has a molecular weight of 276.29 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid is sourced from PubChem (CID 166242273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).