9H-fluoren-9-yl 2-phenoxyacetate

C21H16O3 — CID 7980307

IUPAC9H-fluoren-9-yl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16O3/c22-20(14-23-15-8-2-1-3-9-15)24-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,21H,14H2
InChIKeyVJYBCDQISXAXCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.38
Rot. Bonds4

About 9H-fluoren-9-yl 2-phenoxyacetate

9H-fluoren-9-yl 2-phenoxyacetate (PubChem CID 7980307) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-phenoxyacetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-phenoxyacetate
PubChem CID7980307
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name9H-fluoren-9-yl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16O3/c22-20(14-23-15-8-2-1-3-9-15)24-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,21H,14H2
InChIKeyVJYBCDQISXAXCT-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-phenoxyacetate?
The IUPAC name of 9H-fluoren-9-yl 2-phenoxyacetate (CID 7980307) is 9H-fluoren-9-yl 2-phenoxyacetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-phenoxyacetate?
The canonical SMILES for 9H-fluoren-9-yl 2-phenoxyacetate is O=C(COc1ccccc1)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-phenoxyacetate?
The InChIKey is VJYBCDQISXAXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-20(14-23-15-8-2-1-3-9-15)24-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13,21H,14H2.
What are the key properties of 9H-fluoren-9-yl 2-phenoxyacetate?
9H-fluoren-9-yl 2-phenoxyacetate has a molecular weight of 316.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-phenoxyacetate is sourced from PubChem (CID 7980307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).