2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol

C18H20O4 — CID 123211205

IUPAC2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol
SMILESCc1cc(C2Oc3cc(O)cc(O)c3CC2C)cc(O)c1C
InChIInChI=1S/C18H20O4/c1-9-4-12(6-15(20)11(9)3)18-10(2)5-14-16(21)7-13(19)8-17(14)22-18/h4,6-8,10,18-21H,5H2,1-3H3
InChIKeyVGSPEOAVXSCECY-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.73
Rot. Bonds1

About 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol

2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol (PubChem CID 123211205) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol.

Molecular Properties

Compound Name2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID123211205
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol
SMILESCc1cc(C2Oc3cc(O)cc(O)c3CC2C)cc(O)c1C
InChIInChI=1S/C18H20O4/c1-9-4-12(6-15(20)11(9)3)18-10(2)5-14-16(21)7-13(19)8-17(14)22-18/h4,6-8,10,18-21H,5H2,1-3H3
InChIKeyVGSPEOAVXSCECY-UHFFFAOYSA-N
XLogP3.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-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-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol?
The IUPAC name of 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol (CID 123211205) is 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol.
What is the SMILES notation for 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol?
The canonical SMILES for 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol is Cc1cc(C2Oc3cc(O)cc(O)c3CC2C)cc(O)c1C.
What is the InChIKey of 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol?
The InChIKey is VGSPEOAVXSCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-9-4-12(6-15(20)11(9)3)18-10(2)5-14-16(21)7-13(19)8-17(14)22-18/h4,6-8,10,18-21H,5H2,1-3H3.
What are the key properties of 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol?
2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol has a molecular weight of 300.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol is sourced from PubChem (CID 123211205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).