2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid

C15H11ClO3 — CID 70513529

IUPAC2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid
SMILESCc1c(Cl)ccc2c1C(O)(C(=O)O)c1ccccc1-2
InChIInChI=1S/C15H11ClO3/c1-8-12(16)7-6-10-9-4-2-3-5-11(9)15(19,13(8)10)14(17)18/h2-7,19H,1H3,(H,17,18)
InChIKeyOQWDEYYUVQBREA-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.95
Rot. Bonds1

About 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid

2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid (PubChem CID 70513529) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid.

Molecular Properties

Compound Name2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid
PubChem CID70513529
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid
SMILESCc1c(Cl)ccc2c1C(O)(C(=O)O)c1ccccc1-2
InChIInChI=1S/C15H11ClO3/c1-8-12(16)7-6-10-9-4-2-3-5-11(9)15(19,13(8)10)14(17)18/h2-7,19H,1H3,(H,17,18)
InChIKeyOQWDEYYUVQBREA-UHFFFAOYSA-N
XLogP2.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid?
The IUPAC name of 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid (CID 70513529) is 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid.
What is the SMILES notation for 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid?
The canonical SMILES for 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid is Cc1c(Cl)ccc2c1C(O)(C(=O)O)c1ccccc1-2.
What is the InChIKey of 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid?
The InChIKey is OQWDEYYUVQBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-8-12(16)7-6-10-9-4-2-3-5-11(9)15(19,13(8)10)14(17)18/h2-7,19H,1H3,(H,17,18).
What are the key properties of 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid?
2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid has a molecular weight of 274.70 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid is sourced from PubChem (CID 70513529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).