4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid

C24H18O4 — CID 67828586

IUPAC4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C\c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C24H18O4/c25-23(26)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)24(27)28/h1-16H,(H,25,26)(H,27,28)/b7-5-,8-6+
InChIKeyHWQRBPRNBFBONX-CGXWXWIYSA-N
MW370.40 g/mol
LogP5.42
Rot. Bonds6

About 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid

4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid (PubChem CID 67828586) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
PubChem CID67828586
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C\c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C24H18O4/c25-23(26)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)24(27)28/h1-16H,(H,25,26)(H,27,28)/b7-5-,8-6+
InChIKeyHWQRBPRNBFBONX-CGXWXWIYSA-N
XLogP5.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235
4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
5-[2-[4-[2-(3,5-dicarboxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,3-dicarboxylic acid
CID 5246292
terephthalic acid
CID 160582437
4-[2-(4-carboxyphenyl)ethenyl]benzoic acid;methyl dihydrogen phosphate
CID 67852899
4-(2-pyridazin-4-ylethenyl)benzoic acid
CID 91941448
4-(3-chloroprop-1-enyl)benzoic acid
CID 169477180

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid (CID 67828586) is 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(/C=C\c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid?
The InChIKey is HWQRBPRNBFBONX-CGXWXWIYSA-N. The full InChI is InChI=1S/C24H18O4/c25-23(26)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)24(27)28/h1-16H,(H,25,26)(H,27,28)/b7-5-,8-6+.
What are the key properties of 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid?
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid has a molecular weight of 370.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 67828586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).