5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid

C24H18O6 — CID 54231084

IUPAC5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2C=Cc2ccc(O)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C24H18O6/c25-21-11-7-15(13-19(21)23(27)28)5-9-17-3-1-2-4-18(17)10-6-16-8-12-22(26)20(14-16)24(29)30/h1-14,25-26H,(H,27,28)(H,29,30)
InChIKeyQJHRIACNMRHIOO-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.84
Rot. Bonds6

About 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid

5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid (PubChem CID 54231084) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
PubChem CID54231084
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2C=Cc2ccc(O)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C24H18O6/c25-21-11-7-15(13-19(21)23(27)28)5-9-17-3-1-2-4-18(17)10-6-16-8-12-22(26)20(14-16)24(29)30/h1-14,25-26H,(H,27,28)(H,29,30)
InChIKeyQJHRIACNMRHIOO-UHFFFAOYSA-N
XLogP4.84
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 166033666
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498
5-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-2-hydroxybenzoic acid
CID 59693534
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
2-hydroxy-5-methanehydrazonoylbenzoic acid
CID 168528918
2-hydroxy-6-[(E)-2-naphthalen-2-ylethenyl]benzoic acid
CID 71567906
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid (CID 54231084) is 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid is O=C(O)c1cc(C=Cc2ccccc2C=Cc2ccc(O)c(C(=O)O)c2)ccc1O.
What is the InChIKey of 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid?
The InChIKey is QJHRIACNMRHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c25-21-11-7-15(13-19(21)23(27)28)5-9-17-3-1-2-4-18(17)10-6-16-8-12-22(26)20(14-16)24(29)30/h1-14,25-26H,(H,27,28)(H,29,30).
What are the key properties of 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid?
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid has a molecular weight of 402.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 54231084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).