2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid

C17H14O5 — CID 740386

IUPAC2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H14O5/c1-2-21-10-3-5-12-13-6-4-11(22-9-16(18)19)8-15(13)17(20)14(12)7-10/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyFSSLSTGTXZMSCO-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.76
Rot. Bonds5

About 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid

2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid (PubChem CID 740386) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid
PubChem CID740386
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H14O5/c1-2-21-10-3-5-12-13-6-4-11(22-9-16(18)19)8-15(13)17(20)14(12)7-10/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyFSSLSTGTXZMSCO-UHFFFAOYSA-N
XLogP2.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid?
The IUPAC name of 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid (CID 740386) is 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid?
The canonical SMILES for 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid is CCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)O)ccc1-2.
What is the InChIKey of 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid?
The InChIKey is FSSLSTGTXZMSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-2-21-10-3-5-12-13-6-4-11(22-9-16(18)19)8-15(13)17(20)14(12)7-10/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid?
2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid has a molecular weight of 298.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetic acid is sourced from PubChem (CID 740386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).