2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol

C17H15O5+ — CID 158034915

IUPAC2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol
SMILESCOc1cc(-c2[o+]c3cc(C)cc(O)c3cc2O)ccc1O
InChIInChI=1S/C17H14O5/c1-9-5-13(19)11-8-14(20)17(22-15(11)6-9)10-3-4-12(18)16(7-10)21-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
InChIKeyHKGMFXCOXADFOZ-UHFFFAOYSA-O
MW299.30 g/mol
LogP3.81
Rot. Bonds2

About 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol

2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol (PubChem CID 158034915) has the molecular formula C17H15O5+ and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol
PubChem CID158034915
Molecular FormulaC17H15O5+
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol
SMILESCOc1cc(-c2[o+]c3cc(C)cc(O)c3cc2O)ccc1O
InChIInChI=1S/C17H14O5/c1-9-5-13(19)11-8-14(20)17(22-15(11)6-9)10-3-4-12(18)16(7-10)21-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
InChIKeyHKGMFXCOXADFOZ-UHFFFAOYSA-O
XLogP3.81
TPSA81.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol 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

2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol
CID 101008371
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
bis(2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol);hydrochloride
CID 173046871
2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol chloride
CID 14496548
2-methoxy-4-(4-methoxy-2-methylphenyl)phenol
CID 53220857
2-[4-hydroxy-3,5-bis(trideuteriomethoxy)phenyl]chromenylium-3,5,7-triol
CID 171381547
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 102270316
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 102147885
sodium;(4S)-4-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyamino]-5-oxopentanoic acid;4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid;2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol;2-(4-hydroxyphenyl)chromenylium-5,7-diol;2-(4-hydroxyphenyl)chromenylium-3,5,7-triol
CID 158034914

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol (CID 158034915) is 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol is COc1cc(-c2[o+]c3cc(C)cc(O)c3cc2O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol?
The InChIKey is HKGMFXCOXADFOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14O5/c1-9-5-13(19)11-8-14(20)17(22-15(11)6-9)10-3-4-12(18)16(7-10)21-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol?
2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol has a molecular weight of 299.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-7-methylchromenylium-3,5-diol is sourced from PubChem (CID 158034915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).