8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one

C24H20O6 — CID 1322249

IUPAC8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
SMILESCOc1cccc(C(=O)COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c1
InChIInChI=1S/C24H20O6/c1-14-22(29-13-21(25)15-5-4-6-16(11-15)27-2)10-9-19-18-8-7-17(28-3)12-20(18)24(26)30-23(14)19/h4-12H,13H2,1-3H3
InChIKeyAWRDQOZZWQVZTM-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.53
Rot. Bonds6

About 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one

8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one (PubChem CID 1322249) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
PubChem CID1322249
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
SMILESCOc1cccc(C(=O)COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c1
InChIInChI=1S/C24H20O6/c1-14-22(29-13-21(25)15-5-4-6-16(11-15)27-2)10-9-19-18-8-7-17(28-3)12-20(18)24(26)30-23(14)19/h4-12H,13H2,1-3H3
InChIKeyAWRDQOZZWQVZTM-UHFFFAOYSA-N
XLogP4.53
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-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

8-methoxy-4-methyl-3-phenacyloxybenzo[c]chromen-6-one
CID 2185542
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
CID 1299986
3-benzyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one
CID 1306509
N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1305633
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 704611
(3,4,8-trimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906880
3-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 1307332
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetic acid
CID 1188203
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 1079178
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one (CID 1322249) is 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one is COc1cccc(C(=O)COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c1.
What is the InChIKey of 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one?
The InChIKey is AWRDQOZZWQVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-14-22(29-13-21(25)15-5-4-6-16(11-15)27-2)10-9-19-18-8-7-17(28-3)12-20(18)24(26)30-23(14)19/h4-12H,13H2,1-3H3.
What are the key properties of 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one?
8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one has a molecular weight of 404.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 1322249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).