3-(9H-fluoren-3-yl)propyl formate

C17H16O2 — CID 18001011

IUPAC3-(9H-fluoren-3-yl)propyl formate
SMILESO=COCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H16O2/c18-12-19-9-3-4-13-7-8-15-11-14-5-1-2-6-16(14)17(15)10-13/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyOJJCQWKMTLFRTL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.36
Rot. Bonds5

About 3-(9H-fluoren-3-yl)propyl formate

3-(9H-fluoren-3-yl)propyl formate (PubChem CID 18001011) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(9H-fluoren-3-yl)propyl formate.

Molecular Properties

Compound Name3-(9H-fluoren-3-yl)propyl formate
PubChem CID18001011
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-(9H-fluoren-3-yl)propyl formate
SMILESO=COCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H16O2/c18-12-19-9-3-4-13-7-8-15-11-14-5-1-2-6-16(14)17(15)10-13/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyOJJCQWKMTLFRTL-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.36
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 3-(9H-fluoren-3-yl)propyl formate?
The IUPAC name of 3-(9H-fluoren-3-yl)propyl formate (CID 18001011) is 3-(9H-fluoren-3-yl)propyl formate.
What is the SMILES notation for 3-(9H-fluoren-3-yl)propyl formate?
The canonical SMILES for 3-(9H-fluoren-3-yl)propyl formate is O=COCCCc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-(9H-fluoren-3-yl)propyl formate?
The InChIKey is OJJCQWKMTLFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-12-19-9-3-4-13-7-8-15-11-14-5-1-2-6-16(14)17(15)10-13/h1-2,5-8,10,12H,3-4,9,11H2.
What are the key properties of 3-(9H-fluoren-3-yl)propyl formate?
3-(9H-fluoren-3-yl)propyl formate has a molecular weight of 252.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-3-yl)propyl formate is sourced from PubChem (CID 18001011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).