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

C20H24O3 — CID 11358876

IUPAC1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6+
InChIKeyDQKYFUQALKVCHH-VOTSOKGWSA-N
MW312.41 g/mol
LogP5.05
Rot. Bonds8

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

1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 11358876) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID11358876
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6+
InChIKeyDQKYFUQALKVCHH-VOTSOKGWSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene (CID 11358876) is 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene is CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is DQKYFUQALKVCHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6+.
What are the key properties of 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene has a molecular weight of 312.41 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 11358876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).