(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate

C14H12O4 — CID 764192

IUPAC(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3
InChIKeyIMGBRUFRLUUMEW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.21
Rot. Bonds1

About (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate (PubChem CID 764192) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate.

Molecular Properties

Compound Name(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
PubChem CID764192
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3
InChIKeyIMGBRUFRLUUMEW-UHFFFAOYSA-N
XLogP2.21
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) cyclopentanecarboxylate
CID 18266819
O-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)] N,N-dimethylcarbamothioate
CID 15714359
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-phenylprop-2-enoate
CID 815535
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-oxochromene-3-carboxylate
CID 19170323
2-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]propanoic acid
CID 23856862
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(2,6-dichlorophenyl)prop-2-enoate
CID 19177693
3-[hydroxy-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]phosphinothioyl]oxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
CID 122188146
methyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055069
ethyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]butanoate
CID 4187099
7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 777549
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate
CID 16562997
naphthalen-2-yl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7926793

Frequently Asked Questions

What is the IUPAC name of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The IUPAC name of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate (CID 764192) is (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate.
What is the SMILES notation for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The canonical SMILES for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate is CC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
The InChIKey is IMGBRUFRLUUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3.
What are the key properties of (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate?
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate has a molecular weight of 244.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate is sourced from PubChem (CID 764192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).