ethyl 9-hydroxyfluorene-9-carboxylate

C32H28O6 — CID 139070715

IUPACethyl 9-hydroxyfluorene-9-carboxylate
SMILESCCOC(=O)C1(O)c2ccccc2-c2ccccc21.CCOC(=O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/2C16H14O3/c2*1-2-19-15(17)16(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2*3-10,18H,2H2,1H3
InChIKeyJNMFMAKHDYGQAA-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.93
Rot. Bonds4

About ethyl 9-hydroxyfluorene-9-carboxylate

ethyl 9-hydroxyfluorene-9-carboxylate (PubChem CID 139070715) has the molecular formula C32H28O6 and a molecular weight of 508.57 g/mol. Its IUPAC name is ethyl 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Nameethyl 9-hydroxyfluorene-9-carboxylate
PubChem CID139070715
Molecular FormulaC32H28O6
Molecular Weight508.57 g/mol
Exact Mass508.19
IUPAC Nameethyl 9-hydroxyfluorene-9-carboxylate
SMILESCCOC(=O)C1(O)c2ccccc2-c2ccccc21.CCOC(=O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/2C16H14O3/c2*1-2-19-15(17)16(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2*3-10,18H,2H2,1H3
InChIKeyJNMFMAKHDYGQAA-UHFFFAOYSA-N
XLogP4.93
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 9-hydroxyfluorene-9-carboxylate;silver
CID 122424754
diethyl 3-methylidene-2-octyl-2H-indene-1,1-dicarboxylate
CID 10407837
ethyl 1-(hydroxymethyl)-2-methyl-3-oxoisoindole-1-carboxylate
CID 67470245
methyl 2-fluoro-9-hydroxyfluorene-9-carboxylate
CID 14579585
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
methyl 9-(ethoxymethyl)fluorene-9-carboxylate
CID 90407926
dipentyl fluorene-9,9-dicarboxylate
CID 126715860
ethyl 1,3-diphenylisoindole-1-carboxylate
CID 169091992
ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
CID 10335542
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
CID 22486115
ethyl 15-methyl-8-propan-2-yl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene-1-carboxylate
CID 134838431
ethyl 3-methylindazole-3-carboxylate
CID 121222577

Frequently Asked Questions

What is the IUPAC name of ethyl 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of ethyl 9-hydroxyfluorene-9-carboxylate (CID 139070715) is ethyl 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for ethyl 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for ethyl 9-hydroxyfluorene-9-carboxylate is CCOC(=O)C1(O)c2ccccc2-c2ccccc21.CCOC(=O)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 9-hydroxyfluorene-9-carboxylate?
The InChIKey is JNMFMAKHDYGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O3/c2*1-2-19-15(17)16(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2*3-10,18H,2H2,1H3.
What are the key properties of ethyl 9-hydroxyfluorene-9-carboxylate?
ethyl 9-hydroxyfluorene-9-carboxylate has a molecular weight of 508.57 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 139070715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).