1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid

C18H14O4 — CID 123912844

IUPAC1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
SMILESC=C(C)C(=O)Oc1cccc2c1C(C(=O)O)c1ccccc1-2
InChIInChI=1S/C18H14O4/c1-10(2)18(21)22-14-9-5-8-12-11-6-3-4-7-13(11)16(15(12)14)17(19)20/h3-9,16H,1H2,2H3,(H,19,20)
InChIKeyAIPWLIJHQGEYDQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid

1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid (PubChem CID 123912844) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
PubChem CID123912844
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
SMILESC=C(C)C(=O)Oc1cccc2c1C(C(=O)O)c1ccccc1-2
InChIInChI=1S/C18H14O4/c1-10(2)18(21)22-14-9-5-8-12-11-6-3-4-7-13(11)16(15(12)14)17(19)20/h3-9,16H,1H2,2H3,(H,19,20)
InChIKeyAIPWLIJHQGEYDQ-UHFFFAOYSA-N
XLogP3.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid (CID 123912844) is 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid is C=C(C)C(=O)Oc1cccc2c1C(C(=O)O)c1ccccc1-2.
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid?
The InChIKey is AIPWLIJHQGEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-10(2)18(21)22-14-9-5-8-12-11-6-3-4-7-13(11)16(15(12)14)17(19)20/h3-9,16H,1H2,2H3,(H,19,20).
What are the key properties of 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid?
1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid is sourced from PubChem (CID 123912844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).