1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene

C17H18O2 — CID 58240360

IUPAC1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
SMILESCOc1cc(C=Cc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C17H18O2/c1-13-4-6-14(7-5-13)8-9-15-10-16(18-2)12-17(11-15)19-3/h4-12H,1-3H3
InChIKeyXMWGAFZFKOMEKV-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.18
Rot. Bonds4

About 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene

1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene (PubChem CID 58240360) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
PubChem CID58240360
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
SMILESCOc1cc(C=Cc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C17H18O2/c1-13-4-6-14(7-5-13)8-9-15-10-16(18-2)12-17(11-15)19-3/h4-12H,1-3H3
InChIKeyXMWGAFZFKOMEKV-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] methanesulfonate
CID 46190891
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene (CID 58240360) is 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene is COc1cc(C=Cc2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is XMWGAFZFKOMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-4-6-14(7-5-13)8-9-15-10-16(18-2)12-17(11-15)19-3/h4-12H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene?
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 254.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 58240360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).