9-(9H-fluoren-9-ylmethyl)oxonan-2-one

C22H24O2 — CID 163547679

IUPAC9-(9H-fluoren-9-ylmethyl)oxonan-2-one
SMILESO=C1CCCCCCC(CC2c3ccccc3-c3ccccc32)O1
InChIInChI=1S/C22H24O2/c23-22-14-4-2-1-3-9-16(24-22)15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,16,21H,1-4,9,14-15H2
InChIKeyFGKYCMMLNJJUGO-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.45
Rot. Bonds2

About 9-(9H-fluoren-9-ylmethyl)oxonan-2-one

9-(9H-fluoren-9-ylmethyl)oxonan-2-one (PubChem CID 163547679) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 9-(9H-fluoren-9-ylmethyl)oxonan-2-one.

Molecular Properties

Compound Name9-(9H-fluoren-9-ylmethyl)oxonan-2-one
PubChem CID163547679
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name9-(9H-fluoren-9-ylmethyl)oxonan-2-one
SMILESO=C1CCCCCCC(CC2c3ccccc3-c3ccccc32)O1
InChIInChI=1S/C22H24O2/c23-22-14-4-2-1-3-9-16(24-22)15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,16,21H,1-4,9,14-15H2
InChIKeyFGKYCMMLNJJUGO-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9H-fluoren-9-ylmethyl)oxonan-2-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

7-(iodomethyl)oxepan-2-one
CID 11807205
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
13-propyl-oxacyclotridecan-2-one
CID 54410072
7-[3-(N-phenylanilino)propyl]oxepan-2-one
CID 71282541
(7Z)-16-ethyl-1-oxacyclohexadec-7-en-2-one
CID 87224940
(7R)-7-prop-2-enyloxepan-2-one
CID 12914542
11-fluoro-6,7,8,9,10,11-hexahydrobenzo[9]annulen-5-one
CID 134861406
2-[(2R)-7-oxooxepan-2-yl]acetonitrile
CID 135058708
(10Z)-16-propyl-1-oxacyclohexadec-10-en-2-one
CID 165161767
10-(7-hydroxyheptyl)oxecan-2-one
CID 141387708

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-9-ylmethyl)oxonan-2-one?
The IUPAC name of 9-(9H-fluoren-9-ylmethyl)oxonan-2-one (CID 163547679) is 9-(9H-fluoren-9-ylmethyl)oxonan-2-one.
What is the SMILES notation for 9-(9H-fluoren-9-ylmethyl)oxonan-2-one?
The canonical SMILES for 9-(9H-fluoren-9-ylmethyl)oxonan-2-one is O=C1CCCCCCC(CC2c3ccccc3-c3ccccc32)O1.
What is the InChIKey of 9-(9H-fluoren-9-ylmethyl)oxonan-2-one?
The InChIKey is FGKYCMMLNJJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-22-14-4-2-1-3-9-16(24-22)15-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,16,21H,1-4,9,14-15H2.
What are the key properties of 9-(9H-fluoren-9-ylmethyl)oxonan-2-one?
9-(9H-fluoren-9-ylmethyl)oxonan-2-one has a molecular weight of 320.43 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-9-ylmethyl)oxonan-2-one is sourced from PubChem (CID 163547679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).