2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol

C17H18O4 — CID 59639192

IUPAC2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol
SMILESC=CC(c1ccccc1)c1cc(O)c(OC)c(OC)c1O
InChIInChI=1S/C17H18O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12,18-19H,1H2,2-3H3
InChIKeySGTZMKGDJCXTBM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.43
Rot. Bonds5

About 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol

2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol (PubChem CID 59639192) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol
PubChem CID59639192
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol
SMILESC=CC(c1ccccc1)c1cc(O)c(OC)c(OC)c1O
InChIInChI=1S/C17H18O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12,18-19H,1H2,2-3H3
InChIKeySGTZMKGDJCXTBM-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol?
The IUPAC name of 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol (CID 59639192) is 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol.
What is the SMILES notation for 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol?
The canonical SMILES for 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol is C=CC(c1ccccc1)c1cc(O)c(OC)c(OC)c1O.
What is the InChIKey of 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol?
The InChIKey is SGTZMKGDJCXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12,18-19H,1H2,2-3H3.
What are the key properties of 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol?
2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol has a molecular weight of 286.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol is sourced from PubChem (CID 59639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).