1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene

C16H16O2 — CID 6183584

IUPAC1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(OC)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyKUPZMZKMMSWRSG-CMDGGOBGSA-N
MW240.30 g/mol
LogP3.87
Rot. Bonds4

About 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene

1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene (PubChem CID 6183584) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene
PubChem CID6183584
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(OC)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyKUPZMZKMMSWRSG-CMDGGOBGSA-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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Related Compounds

Butylated Hydroxyanisole
CID 8456
3-Methoxytoluene
CID 7530
4-Methoxy-1-naphthol
CID 66542
Thymyl methyl ether
CID 14104
2-Methylanisole
CID 33637
4-Methoxybiphenyl
CID 11943
Carvacryl methyl ether
CID 80790
Trismethoxyresveratrol
CID 5388063
1-Methoxynaphthalene
CID 16668
2,3',4,5'-Tetramethoxystilbene
CID 5354004
3-Phenoxytoluene
CID 19165
2-tert-Butyl-4-hydroxyanisole
CID 6932

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene (CID 6183584) is 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene is COc1ccc(OC)c(/C=C/c2ccccc2)c1.
What is the InChIKey of 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is KUPZMZKMMSWRSG-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+.
What are the key properties of 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene?
1,4-dimethoxy-2-[(E)-2-phenylethenyl]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 1,4-dimethoxy-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 6183584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).