9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate

C25H24O4 — CID 7908802

IUPAC9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1OCC
InChIInChI=1S/C25H24O4/c1-3-15-28-22-14-13-17(16-23(22)27-4-2)25(26)29-24-20-11-7-5-9-18(20)19-10-6-8-12-21(19)24/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyVYYVMHVANBQMBY-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.80
Rot. Bonds7

About 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate

9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate (PubChem CID 7908802) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
PubChem CID7908802
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1OCC
InChIInChI=1S/C25H24O4/c1-3-15-28-22-14-13-17(16-23(22)27-4-2)25(26)29-24-20-11-7-5-9-18(20)19-10-6-8-12-21(19)24/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyVYYVMHVANBQMBY-UHFFFAOYSA-N
XLogP5.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
CID 7856628
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
ethyl 3,4-diethoxybenzoate
CID 586407
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate?
The IUPAC name of 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate (CID 7908802) is 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1OCC.
What is the InChIKey of 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate?
The InChIKey is VYYVMHVANBQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-3-15-28-22-14-13-17(16-23(22)27-4-2)25(26)29-24-20-11-7-5-9-18(20)19-10-6-8-12-21(19)24/h5-14,16,24H,3-4,15H2,1-2H3.
What are the key properties of 9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate?
9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate has a molecular weight of 388.46 g/mol, XLogP of 5.80, 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-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 7908802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).