1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene

C17H18O2 — CID 10332543

IUPAC1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccccc2)c(C)c1OC
InChIInChI=1S/C17H18O2/c1-13-15(10-9-14-7-5-4-6-8-14)11-12-16(18-2)17(13)19-3/h4-12H,1-3H3/b10-9+
InChIKeyYNHGYAXHMOIPRQ-MDZDMXLPSA-N
MW254.33 g/mol
LogP4.18
Rot. Bonds4

About 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene

1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene (PubChem CID 10332543) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
PubChem CID10332543
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccccc2)c(C)c1OC
InChIInChI=1S/C17H18O2/c1-13-15(10-9-14-7-5-4-6-8-14)11-12-16(18-2)17(13)19-3/h4-12H,1-3H3/b10-9+
InChIKeyYNHGYAXHMOIPRQ-MDZDMXLPSA-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

1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene (CID 10332543) is 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene is COc1ccc(/C=C/c2ccccc2)c(C)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is YNHGYAXHMOIPRQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-15(10-9-14-7-5-4-6-8-14)11-12-16(18-2)17(13)19-3/h4-12H,1-3H3/b10-9+.
What are the key properties of 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene?
1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]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 1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 10332543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).