phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone

C24H22O2 — CID 67499045

IUPACphenyl-[9-(propoxymethyl)fluoren-9-yl]methanone
SMILESCCCOCC1(C(=O)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22O2/c1-2-16-26-17-24(23(25)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)24/h3-15H,2,16-17H2,1H3
InChIKeyLOFJCODFUAZJSD-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.26
Rot. Bonds6

About phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone

phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone (PubChem CID 67499045) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone.

Molecular Properties

Compound Namephenyl-[9-(propoxymethyl)fluoren-9-yl]methanone
PubChem CID67499045
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Namephenyl-[9-(propoxymethyl)fluoren-9-yl]methanone
SMILESCCCOCC1(C(=O)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22O2/c1-2-16-26-17-24(23(25)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)24/h3-15H,2,16-17H2,1H3
InChIKeyLOFJCODFUAZJSD-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
CID 67497818
methyl 9-(ethoxymethyl)fluorene-9-carboxylate
CID 90407926
1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
CID 67498552
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
1-(9-propylfluoren-9-yl)butan-1-one
CID 18409407
benzyl-dimethyl-[[9-(propoxymethyl)fluoren-9-yl]methoxy]silane
CID 69304675
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
N-butyl-9-propylfluorene-9-carboxamide
CID 22891586
propyl oxo(phenyl)methanesulfonate
CID 90936992
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide
CID 22891520
2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
CID 174853757

Frequently Asked Questions

What is the IUPAC name of phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone?
The IUPAC name of phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone (CID 67499045) is phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone.
What is the SMILES notation for phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone?
The canonical SMILES for phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone is CCCOCC1(C(=O)c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone?
The InChIKey is LOFJCODFUAZJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-2-16-26-17-24(23(25)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)24/h3-15H,2,16-17H2,1H3.
What are the key properties of phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone?
phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[9-(propoxymethyl)fluoren-9-yl]methanone is sourced from PubChem (CID 67499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).