9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate

C23H18O4 — CID 54093307

IUPAC9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
SMILESO=COC(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H18O4/c24-15-27-22(16-8-2-1-3-9-16)23(25)26-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,15,21-22H,14H2
InChIKeyJLVGHTOKGBFUMF-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.26
Rot. Bonds6

About 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate

9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate (PubChem CID 54093307) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
PubChem CID54093307
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
SMILESO=COC(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C23H18O4/c24-15-27-22(16-8-2-1-3-9-16)23(25)26-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,15,21-22H,14H2
InChIKeyJLVGHTOKGBFUMF-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[amino(phenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57371029
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
CID 95171223
9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
CID 25187710
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-carboxyoxy-2-(9H-fluoren-9-yl)acetate
CID 90963372
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
CID 20639917

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate (CID 54093307) is 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate is O=COC(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate?
The InChIKey is JLVGHTOKGBFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c24-15-27-22(16-8-2-1-3-9-16)23(25)26-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,15,21-22H,14H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate?
9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate has a molecular weight of 358.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate is sourced from PubChem (CID 54093307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).