ethyl 1-methylidene-3-phenylindene-2-carboxylate

C19H16O2 — CID 25050658

IUPACethyl 1-methylidene-3-phenylindene-2-carboxylate
SMILESC=C1C(C(=O)OCC)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16O2/c1-3-21-19(20)17-13(2)15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3
InChIKeyXCGWUAJZOSYHSD-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.08
Rot. Bonds3

About ethyl 1-methylidene-3-phenylindene-2-carboxylate

ethyl 1-methylidene-3-phenylindene-2-carboxylate (PubChem CID 25050658) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-methylidene-3-phenylindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methylidene-3-phenylindene-2-carboxylate
PubChem CID25050658
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Nameethyl 1-methylidene-3-phenylindene-2-carboxylate
SMILESC=C1C(C(=O)OCC)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16O2/c1-3-21-19(20)17-13(2)15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3
InChIKeyXCGWUAJZOSYHSD-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methylidene-1-phenyl-5-(5-thiophen-2-ylthiophen-2-yl)indene-2-carboxylate
CID 122212817
ethyl 5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3-methylidene-1-phenylindene-2-carboxylate
CID 122212818
ethyl 5,6-dimethoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102411940
ethyl 3-oxo-1-phenyl-5-[4-(N-phenylanilino)phenyl]indene-2-carboxylate
CID 139201220
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CID 10500140
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 5-methyl-3-oxo-1-phenylindene-2-carboxylate;phenyl selenohypochlorite
CID 87708805
ethyl 4,5-bis(2,4-dimethylphenyl)-3-oxo-2-phenylcyclopenta-1,4-diene-1-carboxylate
CID 102235999
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
diethyl 2,6-dimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
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ethyl 1-butyl-2,5-dioxo-4-phenylpyrrole-3-carboxylate
CID 132534436
ethyl 2-aminoazulene-1-carboxylate
CID 11458568

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylidene-3-phenylindene-2-carboxylate?
The IUPAC name of ethyl 1-methylidene-3-phenylindene-2-carboxylate (CID 25050658) is ethyl 1-methylidene-3-phenylindene-2-carboxylate.
What is the SMILES notation for ethyl 1-methylidene-3-phenylindene-2-carboxylate?
The canonical SMILES for ethyl 1-methylidene-3-phenylindene-2-carboxylate is C=C1C(C(=O)OCC)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 1-methylidene-3-phenylindene-2-carboxylate?
The InChIKey is XCGWUAJZOSYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-3-21-19(20)17-13(2)15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3.
What are the key properties of ethyl 1-methylidene-3-phenylindene-2-carboxylate?
ethyl 1-methylidene-3-phenylindene-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylidene-3-phenylindene-2-carboxylate is sourced from PubChem (CID 25050658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).