4-(9H-fluoren-9-yl)butanoic acid

C17H16O2 — CID 10422327

IUPAC4-(9H-fluoren-9-yl)butanoic acid
SMILESO=C(O)CCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,18,19)
InChIKeyMHAKIVXZQPZQIE-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.05
Rot. Bonds4

About 4-(9H-fluoren-9-yl)butanoic acid

4-(9H-fluoren-9-yl)butanoic acid (PubChem CID 10422327) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)butanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)butanoic acid
PubChem CID10422327
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-(9H-fluoren-9-yl)butanoic acid
SMILESO=C(O)CCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,18,19)
InChIKeyMHAKIVXZQPZQIE-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)butanoic acid?
The IUPAC name of 4-(9H-fluoren-9-yl)butanoic acid (CID 10422327) is 4-(9H-fluoren-9-yl)butanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-yl)butanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-yl)butanoic acid is O=C(O)CCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-yl)butanoic acid?
The InChIKey is MHAKIVXZQPZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,18,19).
What are the key properties of 4-(9H-fluoren-9-yl)butanoic acid?
4-(9H-fluoren-9-yl)butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)butanoic acid is sourced from PubChem (CID 10422327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).