9H-fluoren-9-ylmethyl 2-formyloxyacetate

C17H14O4 — CID 54320738

IUPAC9H-fluoren-9-ylmethyl 2-formyloxyacetate
SMILESO=COCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O4/c18-11-20-10-17(19)21-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2
InChIKeyNIWNQGZABRFDSQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.52
Rot. Bonds5

About 9H-fluoren-9-ylmethyl 2-formyloxyacetate

9H-fluoren-9-ylmethyl 2-formyloxyacetate (PubChem CID 54320738) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-formyloxyacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-formyloxyacetate
PubChem CID54320738
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name9H-fluoren-9-ylmethyl 2-formyloxyacetate
SMILESO=COCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O4/c18-11-20-10-17(19)21-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2
InChIKeyNIWNQGZABRFDSQ-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.52
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

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
CID 23573686
CID 23573686
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-formyloxyacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-formyloxyacetate (CID 54320738) is 9H-fluoren-9-ylmethyl 2-formyloxyacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-formyloxyacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-formyloxyacetate is O=COCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-formyloxyacetate?
The InChIKey is NIWNQGZABRFDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-11-20-10-17(19)21-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-formyloxyacetate?
9H-fluoren-9-ylmethyl 2-formyloxyacetate has a molecular weight of 282.30 g/mol, XLogP of 2.52, 5 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-formyloxyacetate is sourced from PubChem (CID 54320738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).