methyl 9-(ethoxymethyl)fluorene-9-carboxylate

C18H18O3 — CID 90407926

IUPACmethyl 9-(ethoxymethyl)fluorene-9-carboxylate
SMILESCCOCC1(C(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18O3/c1-3-21-12-18(17(19)20-2)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,3,12H2,1-2H3
InChIKeyQXLZYLYALLJTFD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.16
Rot. Bonds4

About methyl 9-(ethoxymethyl)fluorene-9-carboxylate

methyl 9-(ethoxymethyl)fluorene-9-carboxylate (PubChem CID 90407926) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 9-(ethoxymethyl)fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-(ethoxymethyl)fluorene-9-carboxylate
PubChem CID90407926
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 9-(ethoxymethyl)fluorene-9-carboxylate
SMILESCCOCC1(C(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18O3/c1-3-21-12-18(17(19)20-2)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,3,12H2,1-2H3
InChIKeyQXLZYLYALLJTFD-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(ethoxymethyl)fluorene-9-carboxylate?
The IUPAC name of methyl 9-(ethoxymethyl)fluorene-9-carboxylate (CID 90407926) is methyl 9-(ethoxymethyl)fluorene-9-carboxylate.
What is the SMILES notation for methyl 9-(ethoxymethyl)fluorene-9-carboxylate?
The canonical SMILES for methyl 9-(ethoxymethyl)fluorene-9-carboxylate is CCOCC1(C(=O)OC)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 9-(ethoxymethyl)fluorene-9-carboxylate?
The InChIKey is QXLZYLYALLJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-12-18(17(19)20-2)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 9-(ethoxymethyl)fluorene-9-carboxylate?
methyl 9-(ethoxymethyl)fluorene-9-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(ethoxymethyl)fluorene-9-carboxylate is sourced from PubChem (CID 90407926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).