methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate

C18H16O5 — CID 740385

IUPACmethyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)OC)ccc1-2
InChIInChI=1S/C18H16O5/c1-3-22-11-4-6-13-14-7-5-12(23-10-17(19)21-2)9-16(14)18(20)15(13)8-11/h4-9H,3,10H2,1-2H3
InChIKeyVIGBGLNPMVBYIM-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate

methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate (PubChem CID 740385) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate
PubChem CID740385
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Namemethyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)OC)ccc1-2
InChIInChI=1S/C18H16O5/c1-3-22-11-4-6-13-14-7-5-12(23-10-17(19)21-2)9-16(14)18(20)15(13)8-11/h4-9H,3,10H2,1-2H3
InChIKeyVIGBGLNPMVBYIM-UHFFFAOYSA-N
XLogP2.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
CID 55916624
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
CID 21294790
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate?
The IUPAC name of methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate (CID 740385) is methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate is CCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)OC)ccc1-2.
What is the InChIKey of methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate?
The InChIKey is VIGBGLNPMVBYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-22-11-4-6-13-14-7-5-12(23-10-17(19)21-2)9-16(14)18(20)15(13)8-11/h4-9H,3,10H2,1-2H3.
What are the key properties of methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate?
methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate has a molecular weight of 312.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-ethoxy-9-oxofluoren-2-yl)oxyacetate is sourced from PubChem (CID 740385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).