2-(9H-fluoren-9-yl)-2-formyloxyacetic acid

C16H12O4 — CID 90873623

IUPAC2-(9H-fluoren-9-yl)-2-formyloxyacetic acid
SMILESO=COC(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O4/c17-9-20-15(16(18)19)14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9,14-15H,(H,18,19)
InChIKeySPBXVNJEBFIGNF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.43
Rot. Bonds4

About 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid

2-(9H-fluoren-9-yl)-2-formyloxyacetic acid (PubChem CID 90873623) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-2-formyloxyacetic acid
PubChem CID90873623
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-(9H-fluoren-9-yl)-2-formyloxyacetic acid
SMILESO=COC(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O4/c17-9-20-15(16(18)19)14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9,14-15H,(H,18,19)
InChIKeySPBXVNJEBFIGNF-UHFFFAOYSA-N
XLogP2.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-Carboxyfluorene
CID 74809
Ethyl 9-hydroxyfluorene-9-carboxylate
CID 239080
2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 14913071
2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
CID 66288188
2-methoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 78969488
Indanoyloxyacetic acid
CID 19784032
9H-fluoren-9-ylmethyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
CID 21882058
tert-butyl 2-(9H-fluoren-9-yl)-2-formyloxyacetate
CID 23352056
FMOC-6-aminohexanol
CID 67056933
Fmoc-2-(aminooxy) acetic acid
CID 67257890
9H-fluoren-9-ylmethyl 2-fluoro-2-formyloxyacetate
CID 57020354
methyl 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-hydroxyacetate
CID 117975674

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid?
The IUPAC name of 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid (CID 90873623) is 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid?
The canonical SMILES for 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid is O=COC(C(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid?
The InChIKey is SPBXVNJEBFIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-9-20-15(16(18)19)14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9,14-15H,(H,18,19).
What are the key properties of 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid?
2-(9H-fluoren-9-yl)-2-formyloxyacetic acid has a molecular weight of 268.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-2-formyloxyacetic acid is sourced from PubChem (CID 90873623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).