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

C18H20O2 — CID 71454329

IUPAC5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)15-8-6-13(7-9-15)4-5-14-10-16(19)12-17(20)11-14/h4-12,19-20H,1-3H3/b5-4+
InChIKeyNZKIRBYNYIFAFD-SNAWJCMRSA-N
MW268.36 g/mol
LogP4.57
Rot. Bonds2

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

5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol (PubChem CID 71454329) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
PubChem CID71454329
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)15-8-6-13(7-9-15)4-5-14-10-16(19)12-17(20)11-14/h4-12,19-20H,1-3H3/b5-4+
InChIKeyNZKIRBYNYIFAFD-SNAWJCMRSA-N
XLogP4.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.57
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

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 162699386
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
CID 59816802
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol (CID 71454329) is 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol is CC(C)(C)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is NZKIRBYNYIFAFD-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)15-8-6-13(7-9-15)4-5-14-10-16(19)12-17(20)11-14/h4-12,19-20H,1-3H3/b5-4+.
What are the key properties of 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 268.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 71454329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).