9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate

C24H22O4 — CID 7856628

IUPAC9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
SMILESCCOc1ccccc1OCCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22O4/c1-2-26-21-13-7-8-14-22(21)27-16-15-23(25)28-24-19-11-5-3-9-17(19)18-10-4-6-12-20(18)24/h3-14,24H,2,15-16H2,1H3
InChIKeyGNCUHBISBMBFIJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.17
Rot. Bonds7

About 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate

9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate (PubChem CID 7856628) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
PubChem CID7856628
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
SMILESCCOc1ccccc1OCCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22O4/c1-2-26-21-13-7-8-14-22(21)27-16-15-23(25)28-24-19-11-5-3-9-17(19)18-10-4-6-12-20(18)24/h3-14,24H,2,15-16H2,1H3
InChIKeyGNCUHBISBMBFIJ-UHFFFAOYSA-N
XLogP5.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate
CID 7855971
9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
CID 7908802
9H-fluoren-9-yl 2-(2-methoxyphenyl)acetate
CID 75412915
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
CID 174211270
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate?
The IUPAC name of 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate (CID 7856628) is 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate?
The canonical SMILES for 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate is CCOc1ccccc1OCCC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate?
The InChIKey is GNCUHBISBMBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-2-26-21-13-7-8-14-22(21)27-16-15-23(25)28-24-19-11-5-3-9-17(19)18-10-4-6-12-20(18)24/h3-14,24H,2,15-16H2,1H3.
What are the key properties of 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate?
9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate has a molecular weight of 374.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate is sourced from PubChem (CID 7856628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).