1,2,3-trimethoxy-4-(2-phenylethenyl)benzene

C17H18O3 — CID 53422272

IUPAC1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
SMILESCOc1ccc(C=Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H18O3/c1-18-15-12-11-14(16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyZKXCILYDBWPWKZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.88
Rot. Bonds5

About 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene

1,2,3-trimethoxy-4-(2-phenylethenyl)benzene (PubChem CID 53422272) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
PubChem CID53422272
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
SMILESCOc1ccc(C=Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H18O3/c1-18-15-12-11-14(16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyZKXCILYDBWPWKZ-UHFFFAOYSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
CID 10332543
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
2-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23815951
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1-methyl-2-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 92959596
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1-[4-[4-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]butyldisulfanyl]butyl]pyridin-1-ium
CID 89327952
3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 67201767
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene (CID 53422272) is 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene is COc1ccc(C=Cc2ccccc2)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene?
The InChIKey is ZKXCILYDBWPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-15-12-11-14(16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene?
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene has a molecular weight of 270.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-(2-phenylethenyl)benzene is sourced from PubChem (CID 53422272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).