2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione

C19H16O4 — CID 640533

IUPAC2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
SMILESCOc1ccc(C(=O)CC2(C)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16O4/c1-19(11-16(20)12-7-9-13(23-2)10-8-12)17(21)14-5-3-4-6-15(14)18(19)22/h3-10H,11H2,1-2H3
InChIKeyCTUNYVSAPKLJTH-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione

2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione (PubChem CID 640533) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
PubChem CID640533
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
SMILESCOc1ccc(C(=O)CC2(C)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16O4/c1-19(11-16(20)12-7-9-13(23-2)10-8-12)17(21)14-5-3-4-6-15(14)18(19)22/h3-10H,11H2,1-2H3
InChIKeyCTUNYVSAPKLJTH-UHFFFAOYSA-N
XLogP3.35
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
N-(1,3-dioxo-2-piperidin-1-ylinden-2-yl)-4-methoxybenzamide
CID 91678867
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione (CID 640533) is 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione is COc1ccc(C(=O)CC2(C)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione?
The InChIKey is CTUNYVSAPKLJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-19(11-16(20)12-7-9-13(23-2)10-8-12)17(21)14-5-3-4-6-15(14)18(19)22/h3-10H,11H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione?
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione has a molecular weight of 308.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione is sourced from PubChem (CID 640533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).