5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol

C18H20O3 — CID 162699386

IUPAC5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1O
InChIInChI=1S/C18H20O3/c1-18(2,3)16-7-6-12(10-17(16)21)4-5-13-8-14(19)11-15(20)9-13/h4-11,19-21H,1-3H3/b5-4+
InChIKeyPFPRZOYBEKYETJ-SNAWJCMRSA-N
MW284.36 g/mol
LogP4.27
Rot. Bonds2

About 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol

5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 162699386) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID162699386
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1O
InChIInChI=1S/C18H20O3/c1-18(2,3)16-7-6-12(10-17(16)21)4-5-13-8-14(19)11-15(20)9-13/h4-11,19-21H,1-3H3/b5-4+
InChIKeyPFPRZOYBEKYETJ-SNAWJCMRSA-N
XLogP4.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl] acetate
CID 122603285
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
CID 139586286
(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate
CID 87705935
5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
CID 121295383

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol (CID 162699386) is 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol is CC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1O.
What is the InChIKey of 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is PFPRZOYBEKYETJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,3)16-7-6-12(10-17(16)21)4-5-13-8-14(19)11-15(20)9-13/h4-11,19-21H,1-3H3/b5-4+.
What are the key properties of 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 284.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 162699386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).