benzyl 9-oxofluorene-4-carboxylate

C21H14O3 — CID 21241008

IUPACbenzyl 9-oxofluorene-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H14O3/c22-20-16-10-5-4-9-15(16)19-17(20)11-6-12-18(19)21(23)24-13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeySKHYZWIPTOPYNH-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.26
Rot. Bonds3

About benzyl 9-oxofluorene-4-carboxylate

benzyl 9-oxofluorene-4-carboxylate (PubChem CID 21241008) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is benzyl 9-oxofluorene-4-carboxylate.

Molecular Properties

Compound Namebenzyl 9-oxofluorene-4-carboxylate
PubChem CID21241008
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Namebenzyl 9-oxofluorene-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H14O3/c22-20-16-10-5-4-9-15(16)19-17(20)11-6-12-18(19)21(23)24-13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeySKHYZWIPTOPYNH-UHFFFAOYSA-N
XLogP4.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
CID 122493784
benzyl 2-[9,10-dioxo-5-(2-phenylmethoxycarbonylphenyl)sulfanylanthracen-1-yl]sulfanylbenzoate;ethene
CID 162156911
(4-methylsulfanylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 7694423
(4-nitrophenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 7969782
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
CID 7730694
[2-(benzylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4622092
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472
butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
benzyl 9H-fluorene-1-carboxylate
CID 148546959

Frequently Asked Questions

What is the IUPAC name of benzyl 9-oxofluorene-4-carboxylate?
The IUPAC name of benzyl 9-oxofluorene-4-carboxylate (CID 21241008) is benzyl 9-oxofluorene-4-carboxylate.
What is the SMILES notation for benzyl 9-oxofluorene-4-carboxylate?
The canonical SMILES for benzyl 9-oxofluorene-4-carboxylate is O=C(OCc1ccccc1)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of benzyl 9-oxofluorene-4-carboxylate?
The InChIKey is SKHYZWIPTOPYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-20-16-10-5-4-9-15(16)19-17(20)11-6-12-18(19)21(23)24-13-14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of benzyl 9-oxofluorene-4-carboxylate?
benzyl 9-oxofluorene-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 9-oxofluorene-4-carboxylate is sourced from PubChem (CID 21241008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).