(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate

C24H18O5 — CID 1218387

IUPAC(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1
InChIInChI=1S/C24H18O5/c1-2-28-23(26)16-9-7-15(8-10-16)14-29-24(27)17-11-12-20-21(13-17)18-5-3-4-6-19(18)22(20)25/h3-13H,2,14H2,1H3
InChIKeyMILNKIVYGVCSTH-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.43
Rot. Bonds5

About (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate

(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate (PubChem CID 1218387) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate.

Molecular Properties

Compound Name(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate
PubChem CID1218387
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1
InChIInChI=1S/C24H18O5/c1-2-28-23(26)16-9-7-15(8-10-16)14-29-24(27)17-11-12-20-21(13-17)18-5-3-4-6-19(18)22(20)25/h3-13H,2,14H2,1H3
InChIKeyMILNKIVYGVCSTH-UHFFFAOYSA-N
XLogP4.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate?
The IUPAC name of (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate (CID 1218387) is (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate.
What is the SMILES notation for (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate?
The canonical SMILES for (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate is CCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1.
What is the InChIKey of (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate?
The InChIKey is MILNKIVYGVCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c1-2-28-23(26)16-9-7-15(8-10-16)14-29-24(27)17-11-12-20-21(13-17)18-5-3-4-6-19(18)22(20)25/h3-13H,2,14H2,1H3.
What are the key properties of (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate?
(4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonylphenyl)methyl 9-oxofluorene-3-carboxylate is sourced from PubChem (CID 1218387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).