9-benzyl-9H-fluorene-1-carboxylic acid

C21H16O2 — CID 67933343

IUPAC9-benzyl-9H-fluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(Cc1ccccc1)c1ccccc1-2
InChIInChI=1S/C21H16O2/c22-21(23)18-12-6-11-17-15-9-4-5-10-16(15)19(20(17)18)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23)
InChIKeyIACPUNSORVPWQG-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.74
Rot. Bonds3

About 9-benzyl-9H-fluorene-1-carboxylic acid

9-benzyl-9H-fluorene-1-carboxylic acid (PubChem CID 67933343) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 9-benzyl-9H-fluorene-1-carboxylic acid.

Molecular Properties

Compound Name9-benzyl-9H-fluorene-1-carboxylic acid
PubChem CID67933343
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name9-benzyl-9H-fluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(Cc1ccccc1)c1ccccc1-2
InChIInChI=1S/C21H16O2/c22-21(23)18-12-6-11-17-15-9-4-5-10-16(15)19(20(17)18)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23)
InChIKeyIACPUNSORVPWQG-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9H-fluorene-1-carboxylic acid?
The IUPAC name of 9-benzyl-9H-fluorene-1-carboxylic acid (CID 67933343) is 9-benzyl-9H-fluorene-1-carboxylic acid.
What is the SMILES notation for 9-benzyl-9H-fluorene-1-carboxylic acid?
The canonical SMILES for 9-benzyl-9H-fluorene-1-carboxylic acid is O=C(O)c1cccc2c1C(Cc1ccccc1)c1ccccc1-2.
What is the InChIKey of 9-benzyl-9H-fluorene-1-carboxylic acid?
The InChIKey is IACPUNSORVPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(23)18-12-6-11-17-15-9-4-5-10-16(15)19(20(17)18)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,23).
What are the key properties of 9-benzyl-9H-fluorene-1-carboxylic acid?
9-benzyl-9H-fluorene-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9H-fluorene-1-carboxylic acid is sourced from PubChem (CID 67933343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).