propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate

C18H16O5 — CID 701972

IUPACpropan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C18H16O5/c1-11(2)22-17(19)10-21-12-7-8-14-13-5-3-4-6-15(13)18(20)23-16(14)9-12/h3-9,11H,10H2,1-2H3
InChIKeyJZARLZPYUIZPQB-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.28
Rot. Bonds4

About propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate

propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate (PubChem CID 701972) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
PubChem CID701972
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namepropan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C18H16O5/c1-11(2)22-17(19)10-21-12-7-8-14-13-5-3-4-6-15(13)18(20)23-16(14)9-12/h3-9,11H,10H2,1-2H3
InChIKeyJZARLZPYUIZPQB-UHFFFAOYSA-N
XLogP3.28
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972
propan-2-yl 2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2005129
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate?
The IUPAC name of propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate (CID 701972) is propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate.
What is the SMILES notation for propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate?
The canonical SMILES for propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate is CC(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate?
The InChIKey is JZARLZPYUIZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-11(2)22-17(19)10-21-12-7-8-14-13-5-3-4-6-15(13)18(20)23-16(14)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate?
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate has a molecular weight of 312.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate is sourced from PubChem (CID 701972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).