ethyl 11-oxobenzo[b]fluorene-10-carboxylate

C20H14O3 — CID 10946575

IUPACethyl 11-oxobenzo[b]fluorene-10-carboxylate
SMILESCCOC(=O)c1c2c(cc3ccccc13)-c1ccccc1C2=O
InChIInChI=1S/C20H14O3/c1-2-23-20(22)18-13-8-4-3-7-12(13)11-16-14-9-5-6-10-15(14)19(21)17(16)18/h3-11H,2H2,1H3
InChIKeyJWBYLZFUSHJDBV-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.23
Rot. Bonds2

About ethyl 11-oxobenzo[b]fluorene-10-carboxylate

ethyl 11-oxobenzo[b]fluorene-10-carboxylate (PubChem CID 10946575) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 11-oxobenzo[b]fluorene-10-carboxylate.

Molecular Properties

Compound Nameethyl 11-oxobenzo[b]fluorene-10-carboxylate
PubChem CID10946575
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Nameethyl 11-oxobenzo[b]fluorene-10-carboxylate
SMILESCCOC(=O)c1c2c(cc3ccccc13)-c1ccccc1C2=O
InChIInChI=1S/C20H14O3/c1-2-23-20(22)18-13-8-4-3-7-12(13)11-16-14-9-5-6-10-15(14)19(21)17(16)18/h3-11H,2H2,1H3
InChIKeyJWBYLZFUSHJDBV-UHFFFAOYSA-N
XLogP4.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 1,3-dichloro-6,11-dioxotetracene-5-carboxylate
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ethyl 2,4-dimethyl-6,11-dioxotetracene-5-carboxylate
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ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
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[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
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10-triethylsilylbenzo[b]fluoren-11-one
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7-methylbenzo[a]anthracene-5,6-dione
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Frequently Asked Questions

What is the IUPAC name of ethyl 11-oxobenzo[b]fluorene-10-carboxylate?
The IUPAC name of ethyl 11-oxobenzo[b]fluorene-10-carboxylate (CID 10946575) is ethyl 11-oxobenzo[b]fluorene-10-carboxylate.
What is the SMILES notation for ethyl 11-oxobenzo[b]fluorene-10-carboxylate?
The canonical SMILES for ethyl 11-oxobenzo[b]fluorene-10-carboxylate is CCOC(=O)c1c2c(cc3ccccc13)-c1ccccc1C2=O.
What is the InChIKey of ethyl 11-oxobenzo[b]fluorene-10-carboxylate?
The InChIKey is JWBYLZFUSHJDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-2-23-20(22)18-13-8-4-3-7-12(13)11-16-14-9-5-6-10-15(14)19(21)17(16)18/h3-11H,2H2,1H3.
What are the key properties of ethyl 11-oxobenzo[b]fluorene-10-carboxylate?
ethyl 11-oxobenzo[b]fluorene-10-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-oxobenzo[b]fluorene-10-carboxylate is sourced from PubChem (CID 10946575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).