ethyl fluoranthene-2-carboxylate

C19H14O2 — CID 158100580

IUPACethyl fluoranthene-2-carboxylate
SMILESCCOC(=O)c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C19H14O2/c1-2-21-19(20)13-10-12-6-5-9-16-14-7-3-4-8-15(14)17(11-13)18(12)16/h3-11H,2H2,1H3
InChIKeyFPFBSMCLRYNQQQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.66
Rot. Bonds2

About ethyl fluoranthene-2-carboxylate

ethyl fluoranthene-2-carboxylate (PubChem CID 158100580) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl fluoranthene-2-carboxylate.

Molecular Properties

Compound Nameethyl fluoranthene-2-carboxylate
PubChem CID158100580
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Nameethyl fluoranthene-2-carboxylate
SMILESCCOC(=O)c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C19H14O2/c1-2-21-19(20)13-10-12-6-5-9-16-14-7-3-4-8-15(14)17(11-13)18(12)16/h3-11H,2H2,1H3
InChIKeyFPFBSMCLRYNQQQ-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl fluoranthene-2-carboxylate?
The IUPAC name of ethyl fluoranthene-2-carboxylate (CID 158100580) is ethyl fluoranthene-2-carboxylate.
What is the SMILES notation for ethyl fluoranthene-2-carboxylate?
The canonical SMILES for ethyl fluoranthene-2-carboxylate is CCOC(=O)c1cc2c3c(cccc3c1)-c1ccccc1-2.
What is the InChIKey of ethyl fluoranthene-2-carboxylate?
The InChIKey is FPFBSMCLRYNQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-2-21-19(20)13-10-12-6-5-9-16-14-7-3-4-8-15(14)17(11-13)18(12)16/h3-11H,2H2,1H3.
What are the key properties of ethyl fluoranthene-2-carboxylate?
ethyl fluoranthene-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl fluoranthene-2-carboxylate is sourced from PubChem (CID 158100580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).