1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene

C21H18O — CID 5378269

IUPAC1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-22-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyKWYQWLBPGOUCGE-PGMHBOJBSA-N
MW286.37 g/mol
LogP5.28
Rot. Bonds4

About 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene

1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene (PubChem CID 5378269) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene
PubChem CID5378269
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-22-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyKWYQWLBPGOUCGE-PGMHBOJBSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.28
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-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene (CID 5378269) is 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene is COc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene?
The InChIKey is KWYQWLBPGOUCGE-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H18O/c1-22-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-.
What are the key properties of 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene?
1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene has a molecular weight of 286.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-diphenylethenyl]-4-methoxybenzene is sourced from PubChem (CID 5378269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).