6-(9H-fluoren-9-yl)hexanoic acid

C19H20O2 — CID 11778424

IUPAC6-(9H-fluoren-9-yl)hexanoic acid
SMILESO=C(O)CCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c20-19(21)13-3-1-2-8-14-15-9-4-6-11-17(15)18-12-7-5-10-16(14)18/h4-7,9-12,14H,1-3,8,13H2,(H,20,21)
InChIKeyCKAYHBSZFKSIRU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.83
Rot. Bonds6

About 6-(9H-fluoren-9-yl)hexanoic acid

6-(9H-fluoren-9-yl)hexanoic acid (PubChem CID 11778424) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(9H-fluoren-9-yl)hexanoic acid.

Molecular Properties

Compound Name6-(9H-fluoren-9-yl)hexanoic acid
PubChem CID11778424
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-(9H-fluoren-9-yl)hexanoic acid
SMILESO=C(O)CCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c20-19(21)13-3-1-2-8-14-15-9-4-6-11-17(15)18-12-7-5-10-16(14)18/h4-7,9-12,14H,1-3,8,13H2,(H,20,21)
InChIKeyCKAYHBSZFKSIRU-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(9H-fluoren-9-yl)hexanoic acid?
The IUPAC name of 6-(9H-fluoren-9-yl)hexanoic acid (CID 11778424) is 6-(9H-fluoren-9-yl)hexanoic acid.
What is the SMILES notation for 6-(9H-fluoren-9-yl)hexanoic acid?
The canonical SMILES for 6-(9H-fluoren-9-yl)hexanoic acid is O=C(O)CCCCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9H-fluoren-9-yl)hexanoic acid?
The InChIKey is CKAYHBSZFKSIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(21)13-3-1-2-8-14-15-9-4-6-11-17(15)18-12-7-5-10-16(14)18/h4-7,9-12,14H,1-3,8,13H2,(H,20,21).
What are the key properties of 6-(9H-fluoren-9-yl)hexanoic acid?
6-(9H-fluoren-9-yl)hexanoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-9-yl)hexanoic acid is sourced from PubChem (CID 11778424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).