1-(9H-fluoren-1-yl)hexadecan-1-one

C29H40O — CID 139905434

IUPAC1-(9H-fluoren-1-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-29(30)27-21-17-20-26-25-19-16-15-18-24(25)23-28(26)27/h15-21H,2-14,22-23H2,1H3
InChIKeyOTECCSIEEIEEMS-UHFFFAOYSA-N
MW404.64 g/mol
LogP8.92
Rot. Bonds15

About 1-(9H-fluoren-1-yl)hexadecan-1-one

1-(9H-fluoren-1-yl)hexadecan-1-one (PubChem CID 139905434) has the molecular formula C29H40O and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-(9H-fluoren-1-yl)hexadecan-1-one.

Molecular Properties

Compound Name1-(9H-fluoren-1-yl)hexadecan-1-one
PubChem CID139905434
Molecular FormulaC29H40O
Molecular Weight404.64 g/mol
Exact Mass404.31
IUPAC Name1-(9H-fluoren-1-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-29(30)27-21-17-20-26-25-19-16-15-18-24(25)23-28(26)27/h15-21H,2-14,22-23H2,1H3
InChIKeyOTECCSIEEIEEMS-UHFFFAOYSA-N
XLogP8.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(9H-fluoren-1-yl)hexadecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phylloquinone
CID 5284607
Vitamin K
CID 5280483
Menatetrenone
CID 5282367
Phenindione
CID 4760
Diphacinone
CID 6719
Pindone
CID 6732
Celestolide
CID 61585
Fluorenone
CID 10241
Fluindione
CID 68942
Acenaphthenequinone
CID 6724
Valone
CID 6733
Menaquinone 7
CID 5287554

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-1-yl)hexadecan-1-one?
The IUPAC name of 1-(9H-fluoren-1-yl)hexadecan-1-one (CID 139905434) is 1-(9H-fluoren-1-yl)hexadecan-1-one.
What is the SMILES notation for 1-(9H-fluoren-1-yl)hexadecan-1-one?
The canonical SMILES for 1-(9H-fluoren-1-yl)hexadecan-1-one is CCCCCCCCCCCCCCCC(=O)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-1-yl)hexadecan-1-one?
The InChIKey is OTECCSIEEIEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-29(30)27-21-17-20-26-25-19-16-15-18-24(25)23-28(26)27/h15-21H,2-14,22-23H2,1H3.
What are the key properties of 1-(9H-fluoren-1-yl)hexadecan-1-one?
1-(9H-fluoren-1-yl)hexadecan-1-one has a molecular weight of 404.64 g/mol, XLogP of 8.92, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-1-yl)hexadecan-1-one is sourced from PubChem (CID 139905434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).