3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

C19H18O8 — CID 10643114

IUPAC3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(O)c(OC)c3c(=O)c2O)cc1
InChIInChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-13(21)12(20)11-16(24-2)14(22)18(25-3)19(26-4)17(11)27-15/h5-8,21-22H,1-4H3
InChIKeyRRFXJUQQKKAIBM-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.91
Rot. Bonds5

About 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 10643114) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID10643114
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(O)c(OC)c3c(=O)c2O)cc1
InChIInChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-13(21)12(20)11-16(24-2)14(22)18(25-3)19(26-4)17(11)27-15/h5-8,21-22H,1-4H3
InChIKeyRRFXJUQQKKAIBM-UHFFFAOYSA-N
XLogP2.91
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one 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

3,5,7-trihydroxy-6,8-dimethoxy-2-phenylchromen-4-one
CID 15290459
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
[6-acetyloxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] acetate
CID 10623735
5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 134157340
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
CID 140843244
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbuta-1,3-dienyl)chromen-4-one
CID 164909835
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
CID 126595540
7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
CID 46236305
3,5-dihydroxy-8-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163022864
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one (CID 10643114) is 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3c(OC)c(OC)c(O)c(OC)c3c(=O)c2O)cc1.
What is the InChIKey of 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is RRFXJUQQKKAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-13(21)12(20)11-16(24-2)14(22)18(25-3)19(26-4)17(11)27-15/h5-8,21-22H,1-4H3.
What are the key properties of 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one?
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 374.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 10643114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).