ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate

C12H12O4 — CID 90023726

IUPACethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H12O4/c1-2-15-12(14)16-9-4-5-10-8(7-9)3-6-11(10)13/h4-5,7H,2-3,6H2,1H3
InChIKeyWHWPVCBGTQORAR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.35
Rot. Bonds2

About ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate

ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate (PubChem CID 90023726) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate.

Molecular Properties

Compound Nameethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
PubChem CID90023726
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H12O4/c1-2-15-12(14)16-9-4-5-10-8(7-9)3-6-11(10)13/h4-5,7H,2-3,6H2,1H3
InChIKeyWHWPVCBGTQORAR-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate 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

(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
(1-oxo-2,3-dihydroinden-5-yl) 1-ethylpyrazole-4-carboxylate
CID 119043963
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-(2-ethyl-2-hydroxybutoxy)-2,3-dihydroinden-1-one
CID 104985833
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
N-(ethylcarbamoyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 107684125
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
butyl 1-oxo-2,3-dihydroindene-5-carboxylate
CID 67484921
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128

Frequently Asked Questions

What is the IUPAC name of ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate?
The IUPAC name of ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate (CID 90023726) is ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate.
What is the SMILES notation for ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate?
The canonical SMILES for ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate is CCOC(=O)Oc1ccc2c(c1)CCC2=O.
What is the InChIKey of ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate?
The InChIKey is WHWPVCBGTQORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-2-15-12(14)16-9-4-5-10-8(7-9)3-6-11(10)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate?
ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate has a molecular weight of 220.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate is sourced from PubChem (CID 90023726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).