2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid

C18H14O4 — CID 54555837

IUPAC2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
SMILESCOc1ccc(C2=C(CC(=O)O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H14O4/c1-22-12-8-6-11(7-9-12)17-13-4-2-3-5-14(13)18(21)15(17)10-16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZNCKWFCJATWLDT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.17
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid

2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid (PubChem CID 54555837) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
PubChem CID54555837
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
SMILESCOc1ccc(C2=C(CC(=O)O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C18H14O4/c1-22-12-8-6-11(7-9-12)17-13-4-2-3-5-14(13)18(21)15(17)10-16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZNCKWFCJATWLDT-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid
CID 18009016
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725
2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
CID 70694292
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid (CID 54555837) is 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid is COc1ccc(C2=C(CC(=O)O)C(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid?
The InChIKey is ZNCKWFCJATWLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-22-12-8-6-11(7-9-12)17-13-4-2-3-5-14(13)18(21)15(17)10-16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid?
2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid is sourced from PubChem (CID 54555837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).