6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one

C19H18O6 — CID 91636673

IUPAC6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1
InChIInChI=1S/C19H18O6/c1-10(20)12-6-7-15-18(19(12)22)14(9-17(21)25-15)13-5-4-11(23-2)8-16(13)24-3/h4-8,14,22H,9H2,1-3H3
InChIKeyLLNUURQWLWCGFN-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.05
Rot. Bonds4

About 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one

6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one (PubChem CID 91636673) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
PubChem CID91636673
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1
InChIInChI=1S/C19H18O6/c1-10(20)12-6-7-15-18(19(12)22)14(9-17(21)25-15)13-5-4-11(23-2)8-16(13)24-3/h4-8,14,22H,9H2,1-3H3
InChIKeyLLNUURQWLWCGFN-UHFFFAOYSA-N
XLogP3.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-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

6-acetyl-5-hydroxy-4-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-3,4-dihydrochromen-2-one
CID 91638420
(4S)-6-acetyl-5-hydroxy-4-(4-propan-2-yloxyphenyl)-3,4-dihydrochromen-2-one
CID 99990961
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049
6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
7-[(4S)-6-acetyl-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 99994954
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 99991768
(4S)-6-(4-chlorobenzoyl)-4-(3,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 125122556

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one?
The IUPAC name of 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one (CID 91636673) is 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1.
What is the InChIKey of 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one?
The InChIKey is LLNUURQWLWCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-10(20)12-6-7-15-18(19(12)22)14(9-17(21)25-15)13-5-4-11(23-2)8-16(13)24-3/h4-8,14,22H,9H2,1-3H3.
What are the key properties of 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one?
6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 91636673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).