methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate

C21H16O3 — CID 680481

IUPACmethyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
SMILESCCc1ccc2c(c1C(=O)OC)C(=O)c1c-2ccc2ccccc12
InChIInChI=1S/C21H16O3/c1-3-12-8-10-16-15-11-9-13-6-4-5-7-14(13)18(15)20(22)19(16)17(12)21(23)24-2/h4-11H,3H2,1-2H3
InChIKeyWKLNTMBOILCLTR-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.40
Rot. Bonds2

About methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate

methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate (PubChem CID 680481) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
PubChem CID680481
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Namemethyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
SMILESCCc1ccc2c(c1C(=O)OC)C(=O)c1c-2ccc2ccccc12
InChIInChI=1S/C21H16O3/c1-3-12-8-10-16-15-11-9-13-6-4-5-7-14(13)18(15)20(22)19(16)17(12)21(23)24-2/h4-11H,3H2,1-2H3
InChIKeyWKLNTMBOILCLTR-UHFFFAOYSA-N
XLogP4.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10759860
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CID 15483504
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
dimethyl picene-13,14-dicarboxylate
CID 101053496
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 4-[[1-[2-[(4-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylate
CID 177253515
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786

Frequently Asked Questions

What is the IUPAC name of methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate?
The IUPAC name of methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate (CID 680481) is methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate.
What is the SMILES notation for methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate?
The canonical SMILES for methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate is CCc1ccc2c(c1C(=O)OC)C(=O)c1c-2ccc2ccccc12.
What is the InChIKey of methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate?
The InChIKey is WKLNTMBOILCLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c1-3-12-8-10-16-15-11-9-13-6-4-5-7-14(13)18(15)20(22)19(16)17(12)21(23)24-2/h4-11H,3H2,1-2H3.
What are the key properties of methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate?
methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate is sourced from PubChem (CID 680481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).