7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C18H18O6 — CID 2277193

IUPAC7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(=O)COc1cc(OCC(C)=O)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C18H18O6/c1-10(19)8-22-12-6-15(23-9-11(2)20)17-13-4-3-5-14(13)18(21)24-16(17)7-12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyIFIWKDMPLNYQCK-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.22
Rot. Bonds6

About 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 2277193) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID2277193
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(=O)COc1cc(OCC(C)=O)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C18H18O6/c1-10(19)8-22-12-6-15(23-9-11(2)20)17-13-4-3-5-14(13)18(21)24-16(17)7-12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyIFIWKDMPLNYQCK-UHFFFAOYSA-N
XLogP2.22
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]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

(1-acetyloxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) acetate
CID 854332
7,9-bis(phenylmethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 3439552
3-methyl-1-[2-(4-methylphenyl)-2-oxoethoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1187308
9-[2-(1-adamantyl)-2-oxoethoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 4245262
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3724496
1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 701957
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 3833014
1-[2-(3-methoxyphenyl)-2-oxoethoxy]-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 4914746
(2R)-2-[[1-[(1S)-1-carboxylatoethoxy]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl]oxy]propanoate
CID 7077000
4-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxymethyl]benzoic acid
CID 52941330
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanoic acid
CID 2771991
2-[[2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]acetyl]amino]benzamide
CID 4893603

Frequently Asked Questions

What is the IUPAC name of 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 2277193) is 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is CC(=O)COc1cc(OCC(C)=O)c2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is IFIWKDMPLNYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-10(19)8-22-12-6-15(23-9-11(2)20)17-13-4-3-5-14(13)18(21)24-16(17)7-12/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 330.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis(2-oxopropoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 2277193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).