4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene

C17H18O — CID 10999067

IUPAC4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
SMILESCOc1ccc(/C=C\c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18O/c1-13-4-5-16(12-14(13)2)7-6-15-8-10-17(18-3)11-9-15/h4-12H,1-3H3/b7-6-
InChIKeyOYFUOABEOZNIJA-SREVYHEPSA-N
MW238.33 g/mol
LogP4.48
Rot. Bonds3

About 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene

4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene (PubChem CID 10999067) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
PubChem CID10999067
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
SMILESCOc1ccc(/C=C\c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H18O/c1-13-4-5-16(12-14(13)2)7-6-15-8-10-17(18-3)11-9-15/h4-12H,1-3H3/b7-6-
InChIKeyOYFUOABEOZNIJA-SREVYHEPSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.48
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 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene (CID 10999067) is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene is COc1ccc(/C=C\c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene?
The InChIKey is OYFUOABEOZNIJA-SREVYHEPSA-N. The full InChI is InChI=1S/C17H18O/c1-13-4-5-16(12-14(13)2)7-6-15-8-10-17(18-3)11-9-15/h4-12H,1-3H3/b7-6-.
What are the key properties of 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene?
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene is sourced from PubChem (CID 10999067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).