4-(9H-fluoren-4-yl)butyl formate

C18H18O2 — CID 18001093

IUPAC4-(9H-fluoren-4-yl)butyl formate
SMILESO=COCCCCc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C18H18O2/c19-13-20-11-4-3-6-14-8-5-9-16-12-15-7-1-2-10-17(15)18(14)16/h1-2,5,7-10,13H,3-4,6,11-12H2
InChIKeyAUXDHXWRJOUWAO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds6

About 4-(9H-fluoren-4-yl)butyl formate

4-(9H-fluoren-4-yl)butyl formate (PubChem CID 18001093) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(9H-fluoren-4-yl)butyl formate.

Molecular Properties

Compound Name4-(9H-fluoren-4-yl)butyl formate
PubChem CID18001093
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(9H-fluoren-4-yl)butyl formate
SMILESO=COCCCCc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C18H18O2/c19-13-20-11-4-3-6-14-8-5-9-16-12-15-7-1-2-10-17(15)18(14)16/h1-2,5,7-10,13H,3-4,6,11-12H2
InChIKeyAUXDHXWRJOUWAO-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-4-yl)butyl formate?
The IUPAC name of 4-(9H-fluoren-4-yl)butyl formate (CID 18001093) is 4-(9H-fluoren-4-yl)butyl formate.
What is the SMILES notation for 4-(9H-fluoren-4-yl)butyl formate?
The canonical SMILES for 4-(9H-fluoren-4-yl)butyl formate is O=COCCCCc1cccc2c1-c1ccccc1C2.
What is the InChIKey of 4-(9H-fluoren-4-yl)butyl formate?
The InChIKey is AUXDHXWRJOUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-13-20-11-4-3-6-14-8-5-9-16-12-15-7-1-2-10-17(15)18(14)16/h1-2,5,7-10,13H,3-4,6,11-12H2.
What are the key properties of 4-(9H-fluoren-4-yl)butyl formate?
4-(9H-fluoren-4-yl)butyl formate has a molecular weight of 266.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-4-yl)butyl formate is sourced from PubChem (CID 18001093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).