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

C20H24O2 — CID 102263178

IUPAC1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C20H24O2/c1-20(2,3)17-10-8-15(9-11-17)6-7-16-12-18(21-4)14-19(13-16)22-5/h6-14H,1-5H3/b7-6+
InChIKeyIDFIYQJCIUPDIT-VOTSOKGWSA-N
MW296.41 g/mol
LogP5.17
Rot. Bonds4

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

1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 102263178) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID102263178
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C20H24O2/c1-20(2,3)17-10-8-15(9-11-17)6-7-16-12-18(21-4)14-19(13-16)22-5/h6-14H,1-5H3/b7-6+
InChIKeyIDFIYQJCIUPDIT-VOTSOKGWSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
2,6-ditert-butyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]pyrylium
CID 6261641
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] methanesulfonate
CID 46190891
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene (CID 102263178) is 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is IDFIYQJCIUPDIT-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H24O2/c1-20(2,3)17-10-8-15(9-11-17)6-7-16-12-18(21-4)14-19(13-16)22-5/h6-14H,1-5H3/b7-6+.
What are the key properties of 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene has a molecular weight of 296.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 102263178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).