4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol

C17H20O4 — CID 44611713

IUPAC4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(CCc2ccc(O)cc2O)c(OC)c1C
InChIInChI=1S/C17H20O4/c1-11-16(20-2)9-7-13(17(11)21-3)5-4-12-6-8-14(18)10-15(12)19/h6-10,18-19H,4-5H2,1-3H3
InChIKeyIUYGPVSGZMZJPS-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.21
Rot. Bonds5

About 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol

4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol (PubChem CID 44611713) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol
PubChem CID44611713
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(CCc2ccc(O)cc2O)c(OC)c1C
InChIInChI=1S/C17H20O4/c1-11-16(20-2)9-7-13(17(11)21-3)5-4-12-6-8-14(18)10-15(12)19/h6-10,18-19H,4-5H2,1-3H3
InChIKeyIUYGPVSGZMZJPS-UHFFFAOYSA-N
XLogP3.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol (CID 44611713) is 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol is COc1ccc(CCc2ccc(O)cc2O)c(OC)c1C.
What is the InChIKey of 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol?
The InChIKey is IUYGPVSGZMZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-11-16(20-2)9-7-13(17(11)21-3)5-4-12-6-8-14(18)10-15(12)19/h6-10,18-19H,4-5H2,1-3H3.
What are the key properties of 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol?
4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol has a molecular weight of 288.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 44611713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).