(3-oxoinden-1-yl) benzoate

C16H10O3 — CID 134124158

IUPAC(3-oxoinden-1-yl) benzoate
SMILESO=C(OC1=CC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H10O3/c17-14-10-15(13-9-5-4-8-12(13)14)19-16(18)11-6-2-1-3-7-11/h1-10H
InChIKeyOKBBMULXXIGCOW-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.08
Rot. Bonds2

About (3-oxoinden-1-yl) benzoate

(3-oxoinden-1-yl) benzoate (PubChem CID 134124158) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is (3-oxoinden-1-yl) benzoate.

Molecular Properties

Compound Name(3-oxoinden-1-yl) benzoate
PubChem CID134124158
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name(3-oxoinden-1-yl) benzoate
SMILESO=C(OC1=CC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H10O3/c17-14-10-15(13-9-5-4-8-12(13)14)19-16(18)11-6-2-1-3-7-11/h1-10H
InChIKeyOKBBMULXXIGCOW-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-oxoinden-1-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrol-3-yl) benzoate
CID 70270981
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
[(E)-ethylideneamino] benzoate
CID 59571787
2-[(E)-3-oxo-3-phenylprop-1-enyl]naphthalene-1,4-dione
CID 101464873
(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
CID 139084342
(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
CID 15270201
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641

Frequently Asked Questions

What is the IUPAC name of (3-oxoinden-1-yl) benzoate?
The IUPAC name of (3-oxoinden-1-yl) benzoate (CID 134124158) is (3-oxoinden-1-yl) benzoate.
What is the SMILES notation for (3-oxoinden-1-yl) benzoate?
The canonical SMILES for (3-oxoinden-1-yl) benzoate is O=C(OC1=CC(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of (3-oxoinden-1-yl) benzoate?
The InChIKey is OKBBMULXXIGCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-14-10-15(13-9-5-4-8-12(13)14)19-16(18)11-6-2-1-3-7-11/h1-10H.
What are the key properties of (3-oxoinden-1-yl) benzoate?
(3-oxoinden-1-yl) benzoate has a molecular weight of 250.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxoinden-1-yl) benzoate is sourced from PubChem (CID 134124158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).