1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C16H16O2 — CID 14954814

IUPAC1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12H,1-2H3/b7-6+
InChIKeyPMVLDTCOUSZSHN-VOTSOKGWSA-N
MW240.30 g/mol
LogP3.87
Rot. Bonds4

About 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 14954814) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID14954814
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12H,1-2H3/b7-6+
InChIKeyPMVLDTCOUSZSHN-VOTSOKGWSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 14954814) is 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cccc(OC)c2)cc1.
What is the InChIKey of 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is PMVLDTCOUSZSHN-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12H,1-2H3/b7-6+.
What are the key properties of 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 240.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 14954814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).