4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid

C19H14O3 — CID 54134522

IUPAC4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccccc2-c2ccco2)cc1
InChIInChI=1S/C19H14O3/c20-19(21)16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)18-6-3-13-22-18/h1-13H,(H,20,21)
InChIKeyNWSRFYJVFANTIX-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.82
Rot. Bonds4

About 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid

4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid (PubChem CID 54134522) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid
PubChem CID54134522
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccccc2-c2ccco2)cc1
InChIInChI=1S/C19H14O3/c20-19(21)16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)18-6-3-13-22-18/h1-13H,(H,20,21)
InChIKeyNWSRFYJVFANTIX-UHFFFAOYSA-N
XLogP4.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
CID 22400848
4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid
CID 22400857
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
4-aminobenzoic acid;2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 175306956
4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037
benzoic acid;1,3-dimethyl-5-(2-phenylethenyl)benzene
CID 174874153
4-[(E)-2-(5,8-diphenylnaphthalen-2-yl)ethenyl]benzoic acid
CID 86302393

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid (CID 54134522) is 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(C=Cc2ccccc2-c2ccco2)cc1.
What is the InChIKey of 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid?
The InChIKey is NWSRFYJVFANTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-19(21)16-11-8-14(9-12-16)7-10-15-4-1-2-5-17(15)18-6-3-13-22-18/h1-13H,(H,20,21).
What are the key properties of 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid?
4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 54134522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).