4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane

C16H16O3 — CID 142316868

IUPAC4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane
SMILESC.C=Cc1oc(-c2ccccc2)c(C(=O)O)c1C=C
InChIInChI=1S/C15H12O3.CH4/c1-3-11-12(4-2)18-14(13(11)15(16)17)10-8-6-5-7-9-10;/h3-9H,1-2H2,(H,16,17);1H4
InChIKeyGCJXCIYSRVTTTB-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.57
Rot. Bonds4

About 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane

4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane (PubChem CID 142316868) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane
PubChem CID142316868
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane
SMILESC.C=Cc1oc(-c2ccccc2)c(C(=O)O)c1C=C
InChIInChI=1S/C15H12O3.CH4/c1-3-11-12(4-2)18-14(13(11)15(16)17)10-8-6-5-7-9-10;/h3-9H,1-2H2,(H,16,17);1H4
InChIKeyGCJXCIYSRVTTTB-UHFFFAOYSA-N
XLogP4.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane?
The IUPAC name of 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane (CID 142316868) is 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane?
The canonical SMILES for 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane is C.C=Cc1oc(-c2ccccc2)c(C(=O)O)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane?
The InChIKey is GCJXCIYSRVTTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.CH4/c1-3-11-12(4-2)18-14(13(11)15(16)17)10-8-6-5-7-9-10;/h3-9H,1-2H2,(H,16,17);1H4.
What are the key properties of 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane?
4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane has a molecular weight of 256.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-phenylfuran-3-carboxylic acid;methane is sourced from PubChem (CID 142316868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).