1-methoxy-3-[(E)-2-phenylethenyl]benzene

C15H14O — CID 5375954

IUPAC1-methoxy-3-[(E)-2-phenylethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14O/c1-16-15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKeyLZINUFCUTQOYOO-ZHACJKMWSA-N
MW210.28 g/mol
LogP3.87
Rot. Bonds3

About 1-methoxy-3-[(E)-2-phenylethenyl]benzene

1-methoxy-3-[(E)-2-phenylethenyl]benzene (PubChem CID 5375954) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-2-phenylethenyl]benzene
PubChem CID5375954
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-methoxy-3-[(E)-2-phenylethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14O/c1-16-15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKeyLZINUFCUTQOYOO-ZHACJKMWSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenylethenyl]benzene?
The IUPAC name of 1-methoxy-3-[(E)-2-phenylethenyl]benzene (CID 5375954) is 1-methoxy-3-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-methoxy-3-[(E)-2-phenylethenyl]benzene is COc1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 1-methoxy-3-[(E)-2-phenylethenyl]benzene?
The InChIKey is LZINUFCUTQOYOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H14O/c1-16-15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+.
What are the key properties of 1-methoxy-3-[(E)-2-phenylethenyl]benzene?
1-methoxy-3-[(E)-2-phenylethenyl]benzene has a molecular weight of 210.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 5375954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).