methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate

C18H14O4 — CID 102078584

IUPACmethyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)c2cc(OC)ccc2C1=O
InChIInChI=1S/C18H14O4/c1-21-12-8-9-13-14(10-12)15(11-6-4-3-5-7-11)16(17(13)19)18(20)22-2/h3-10H,1-2H3
InChIKeyUJFDUDIHRJHDDU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.87
Rot. Bonds3

About methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate

methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate (PubChem CID 102078584) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
PubChem CID102078584
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Namemethyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)c2cc(OC)ccc2C1=O
InChIInChI=1S/C18H14O4/c1-21-12-8-9-13-14(10-12)15(11-6-4-3-5-7-11)16(17(13)19)18(20)22-2/h3-10H,1-2H3
InChIKeyUJFDUDIHRJHDDU-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
ethyl 1-(2-hydroxypropan-2-yl)-6-methoxy-3-phenyl-1H-indene-2-carboxylate;ethyl 5-methoxy-3-oxo-1-phenylindene-2-carboxylate
CID 69132241
ethyl 1-benzyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylate;ethyl 5-methoxy-3-oxo-1-phenylindene-2-carboxylate
CID 69131345
disodium;2-methoxycarbonyl-6-(2-methoxycarbonyl-3-oxido-1-oxoinden-5-yl)oxy-3-oxoinden-1-olate
CID 54724129
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
2-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
4-methoxy-N,2-diphenylbenzamide
CID 156739257
butyl 6-methoxy-3-phenyl-1H-indene-2-carboxylate
CID 11324732

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate?
The IUPAC name of methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate (CID 102078584) is methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate is COC(=O)C1=C(c2ccccc2)c2cc(OC)ccc2C1=O.
What is the InChIKey of methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate?
The InChIKey is UJFDUDIHRJHDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-21-12-8-9-13-14(10-12)15(11-6-4-3-5-7-11)16(17(13)19)18(20)22-2/h3-10H,1-2H3.
What are the key properties of methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate?
methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate is sourced from PubChem (CID 102078584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).