3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid

C153H123N5O26S2 — CID 164988830

IUPAC3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid
SMILESCC(=O)c1cccc(/C=C/c2ccccc2)c1O.CC(=O)c1cccc(/C=C/c2ccncc2)c1.Cc1cc(/C=C/c2ccccc2)cc(C(=O)O)c1.O=C(O)c1cc(/C=C/c2ccccc2)ccc1O.O=C(O)c1ccc(O)c(/C=C/c2ccccc2)c1.O=C(O)c1cccc(/C=C/c2ccccn2)c1.O=C(O)c1cccc(/C=C/c2ccco2)c1.O=C(O)c1cccc(/C=C/c2cccs2)c1.O=C(O)c1cccc(/C=C/c2cnco2)c1.O=C(O)c1cccc(/C=C/c2cocn2)c1.O=C(O)c1cccc(/C=C/c2cscn2)c1
InChIInChI=1S/2C16H14O2.C15H13NO.2C15H12O3.C14H11NO2.C13H10O3.C13H10O2S.2C12H9NO3.C12H9NO2S/c1-12(17)15-9-5-8-14(16(15)18)11-10-13-6-3-2-4-7-13;1-12-9-14(11-15(10-12)16(17)18)8-7-13-5-3-2-4-6-13;1-12(17)15-4-2-3-14(11-15)6-5-13-7-9-16-10-8-13;16-14-9-8-13(15(17)18)10-12(14)7-6-11-4-2-1-3-5-11;16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11;16-14(17)12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13;2*14-13(15)11-4-1-3-10(9-11)6-7-12-5-2-8-16-12;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-13-8-16-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11/h2-11,18H,1H3;2-11H,1H3,(H,17,18);2-11H,1H3;2*1-10,16H,(H,17,18);1-10H,(H,16,17);2*1-9H,(H,14,15);3*1-8H,(H,14,15)/b11-10+;8-7+;6-5+;2*7-6+;8-7+;2*7-6+;3*5-4+
InChIKeyGOBDBOHAFQMBRZ-PHMFDKLZSA-N
MW2511.81 g/mol
LogP35.42
Rot. Bonds33

About 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid

3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid (PubChem CID 164988830) has the molecular formula C153H123N5O26S2 and a molecular weight of 2511.81 g/mol. Its IUPAC name is 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid.

Molecular Properties

Compound Name3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid
PubChem CID164988830
Molecular FormulaC153H123N5O26S2
Molecular Weight2511.81 g/mol
Exact Mass2509.79
IUPAC Name3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid
SMILESCC(=O)c1cccc(/C=C/c2ccccc2)c1O.CC(=O)c1cccc(/C=C/c2ccncc2)c1.Cc1cc(/C=C/c2ccccc2)cc(C(=O)O)c1.O=C(O)c1cc(/C=C/c2ccccc2)ccc1O.O=C(O)c1ccc(O)c(/C=C/c2ccccc2)c1.O=C(O)c1cccc(/C=C/c2ccccn2)c1.O=C(O)c1cccc(/C=C/c2ccco2)c1.O=C(O)c1cccc(/C=C/c2cccs2)c1.O=C(O)c1cccc(/C=C/c2cnco2)c1.O=C(O)c1cccc(/C=C/c2cocn2)c1.O=C(O)c1cccc(/C=C/c2cscn2)c1
InChIInChI=1S/2C16H14O2.C15H13NO.2C15H12O3.C14H11NO2.C13H10O3.C13H10O2S.2C12H9NO3.C12H9NO2S/c1-12(17)15-9-5-8-14(16(15)18)11-10-13-6-3-2-4-7-13;1-12-9-14(11-15(10-12)16(17)18)8-7-13-5-3-2-4-6-13;1-12(17)15-4-2-3-14(11-15)6-5-13-7-9-16-10-8-13;16-14-9-8-13(15(17)18)10-12(14)7-6-11-4-2-1-3-5-11;16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11;16-14(17)12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13;2*14-13(15)11-4-1-3-10(9-11)6-7-12-5-2-8-16-12;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-13-8-16-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11/h2-11,18H,1H3;2-11H,1H3,(H,17,18);2-11H,1H3;2*1-10,16H,(H,17,18);1-10H,(H,16,17);2*1-9H,(H,14,15);3*1-8H,(H,14,15)/b11-10+;8-7+;6-5+;2*7-6+;8-7+;2*7-6+;3*5-4+
InChIKeyGOBDBOHAFQMBRZ-PHMFDKLZSA-N
XLogP35.42
TPSA534.40 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002511.81
LogP ≤ 535.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid (CID 164988830) is 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid.
What is the SMILES notation for 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The canonical SMILES for 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid is CC(=O)c1cccc(/C=C/c2ccccc2)c1O.CC(=O)c1cccc(/C=C/c2ccncc2)c1.Cc1cc(/C=C/c2ccccc2)cc(C(=O)O)c1.O=C(O)c1cc(/C=C/c2ccccc2)ccc1O.O=C(O)c1ccc(O)c(/C=C/c2ccccc2)c1.O=C(O)c1cccc(/C=C/c2ccccn2)c1.O=C(O)c1cccc(/C=C/c2ccco2)c1.O=C(O)c1cccc(/C=C/c2cccs2)c1.O=C(O)c1cccc(/C=C/c2cnco2)c1.O=C(O)c1cccc(/C=C/c2cocn2)c1.O=C(O)c1cccc(/C=C/c2cscn2)c1.
What is the InChIKey of 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
The InChIKey is GOBDBOHAFQMBRZ-PHMFDKLZSA-N. The full InChI is InChI=1S/2C16H14O2.C15H13NO.2C15H12O3.C14H11NO2.C13H10O3.C13H10O2S.2C12H9NO3.C12H9NO2S/c1-12(17)15-9-5-8-14(16(15)18)11-10-13-6-3-2-4-7-13;1-12-9-14(11-15(10-12)16(17)18)8-7-13-5-3-2-4-6-13;1-12(17)15-4-2-3-14(11-15)6-5-13-7-9-16-10-8-13;16-14-9-8-13(15(17)18)10-12(14)7-6-11-4-2-1-3-5-11;16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11;16-14(17)12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13;2*14-13(15)11-4-1-3-10(9-11)6-7-12-5-2-8-16-12;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-13-8-16-11;14-12(15)10-3-1-2-9(6-10)4-5-11-7-16-8-13-11/h2-11,18H,1H3;2-11H,1H3,(H,17,18);2-11H,1H3;2*1-10,16H,(H,17,18);1-10H,(H,16,17);2*1-9H,(H,14,15);3*1-8H,(H,14,15)/b11-10+;8-7+;6-5+;2*7-6+;8-7+;2*7-6+;3*5-4+.
What are the key properties of 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid?
3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid has a molecular weight of 2511.81 g/mol, XLogP of 35.42, 33 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(furan-2-yl)ethenyl]benzoic acid;2-hydroxy-5-[(E)-2-phenylethenyl]benzoic acid;4-hydroxy-3-[(E)-2-phenylethenyl]benzoic acid;1-[2-hydroxy-3-[(E)-2-phenylethenyl]phenyl]ethanone;3-methyl-5-[(E)-2-phenylethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-(1,3-oxazol-5-yl)ethenyl]benzoic acid;3-[(E)-2-pyridin-2-ylethenyl]benzoic acid;1-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]ethanone;3-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzoic acid;3-[(E)-2-thiophen-2-ylethenyl]benzoic acid is sourced from PubChem (CID 164988830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).