9-oxofluorene-1-carboxylate

C14H7O3- — CID 6928439

IUPAC9-oxofluorene-1-carboxylate
SMILESO=C([O-])c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)/p-1
InChIKeyCBEFMGJHEKAMNI-UHFFFAOYSA-M
MW223.21 g/mol
LogP1.26
Rot. Bonds1

About 9-oxofluorene-1-carboxylate

9-oxofluorene-1-carboxylate (PubChem CID 6928439) has the molecular formula C14H7O3- and a molecular weight of 223.21 g/mol. Its IUPAC name is 9-oxofluorene-1-carboxylate.

Molecular Properties

Compound Name9-oxofluorene-1-carboxylate
PubChem CID6928439
Molecular FormulaC14H7O3-
Molecular Weight223.21 g/mol
Exact Mass223.04
IUPAC Name9-oxofluorene-1-carboxylate
SMILESO=C([O-])c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)/p-1
InChIKeyCBEFMGJHEKAMNI-UHFFFAOYSA-M
XLogP1.26
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-oxofluorene-1-carboxylate 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-[2,3-bis(2-carboxylatophenyl)phenyl]benzoate;iron(3+)
CID 67068177
2-[(S)-(9,10-dioxoanthracen-1-yl)sulfinyl]benzoate
CID 11890222
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
dilithium;9,10-dioxoanthracene-1,2-dicarboxylate
CID 175522887
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
2-(9-oxofluoren-1-yl)acetic acid
CID 12692062
N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
CID 141027616
lead(2+) dihydride;phthalate
CID 155293254
trimagnesium;phthalate
CID 142758668
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098

Frequently Asked Questions

What is the IUPAC name of 9-oxofluorene-1-carboxylate?
The IUPAC name of 9-oxofluorene-1-carboxylate (CID 6928439) is 9-oxofluorene-1-carboxylate.
What is the SMILES notation for 9-oxofluorene-1-carboxylate?
The canonical SMILES for 9-oxofluorene-1-carboxylate is O=C([O-])c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 9-oxofluorene-1-carboxylate?
The InChIKey is CBEFMGJHEKAMNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)/p-1.
What are the key properties of 9-oxofluorene-1-carboxylate?
9-oxofluorene-1-carboxylate has a molecular weight of 223.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxofluorene-1-carboxylate is sourced from PubChem (CID 6928439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).