(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one

C23H20O — CID 7385778

IUPAC(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20O/c1-16(24)15-22(17-9-3-2-4-10-17)23-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23/h2-14,22-23H,15H2,1H3/t22-/m0/s1
InChIKeyLCGAZWAPCADLSW-QFIPXVFZSA-N
MW312.41 g/mol
LogP5.56
Rot. Bonds4

About (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one

(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one (PubChem CID 7385778) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
PubChem CID7385778
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20O/c1-16(24)15-22(17-9-3-2-4-10-17)23-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23/h2-14,22-23H,15H2,1H3/t22-/m0/s1
InChIKeyLCGAZWAPCADLSW-QFIPXVFZSA-N
XLogP5.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 98056346
2-(3-oxo-1-phenylbutyl)indene-1,3-dione
CID 519483
(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
CID 139084691
10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
CID 46862210
10-[(1S)-1-(2-methoxyphenyl)-3-oxobutyl]-10H-anthracen-9-one
CID 46862106
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
3-(9H-fluoren-9-yl)-3-phenylpropanenitrile
CID 3386304
2-hydroxy-3-(3-oxo-1-phenylbutyl)-2,3-dihydrochromen-4-one
CID 126963599
2-[(1R)-4,4-dimethyl-3-oxo-1-phenylpentyl]indene-1,3-dione
CID 793748
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
CID 24977181
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
4-phenyl-4-phosphanylbutan-2-one
CID 175348302

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one?
The IUPAC name of (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one (CID 7385778) is (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one.
What is the SMILES notation for (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one?
The canonical SMILES for (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one is CC(=O)C[C@@H](c1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one?
The InChIKey is LCGAZWAPCADLSW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20O/c1-16(24)15-22(17-9-3-2-4-10-17)23-20-13-7-5-11-18(20)19-12-6-8-14-21(19)23/h2-14,22-23H,15H2,1H3/t22-/m0/s1.
What are the key properties of (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one?
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one has a molecular weight of 312.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 7385778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).