3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol

C23H22O4 — CID 91062192

IUPAC3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol
SMILESCc1ccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)cc1
InChIInChI=1S/C23H22O4/c1-15-5-7-16(8-6-15)9-10-17-3-2-4-18(13-17)11-12-19-22(26)20(24)14-21(25)23(19)27/h2-8,11-14,24-27H,9-10H2,1H3
InChIKeyDHOAYDCFZHTBCU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.77
Rot. Bonds5

About 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol

3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol (PubChem CID 91062192) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol.

Molecular Properties

Compound Name3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol
PubChem CID91062192
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol
SMILESCc1ccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)cc1
InChIInChI=1S/C23H22O4/c1-15-5-7-16(8-6-15)9-10-17-3-2-4-18(13-17)11-12-19-22(26)20(24)14-21(25)23(19)27/h2-8,11-14,24-27H,9-10H2,1H3
InChIKeyDHOAYDCFZHTBCU-UHFFFAOYSA-N
XLogP4.77
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(Z)-2-(2,5-dimethylphenyl)ethenyl]phenyl]propan-1-amine
CID 25100109
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide
CID 25101193
3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
CID 173498744
ethyl 4-[3-[2-(2,6-dimethylphenyl)ethenyl]phenyl]butanoate
CID 91383142
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol?
The IUPAC name of 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol (CID 91062192) is 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol.
What is the SMILES notation for 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol?
The canonical SMILES for 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol is Cc1ccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)cc1.
What is the InChIKey of 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol?
The InChIKey is DHOAYDCFZHTBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-15-5-7-16(8-6-15)9-10-17-3-2-4-18(13-17)11-12-19-22(26)20(24)14-21(25)23(19)27/h2-8,11-14,24-27H,9-10H2,1H3.
What are the key properties of 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol?
3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol has a molecular weight of 362.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(4-methylphenyl)ethyl]phenyl]ethenyl]benzene-1,2,4,5-tetrol is sourced from PubChem (CID 91062192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).