(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one

C23H22O2 — CID 59906121

IUPAC(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H22O2/c1-18(24)16-22(20-12-6-3-7-13-20)21-14-8-9-15-23(21)25-17-19-10-4-2-5-11-19/h2-15,22H,16-17H2,1H3/t22-/m0/s1
InChIKeyDGSLTEKKKRYTBU-QFIPXVFZSA-N
MW330.43 g/mol
LogP5.38
Rot. Bonds7

About (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one

(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one (PubChem CID 59906121) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
PubChem CID59906121
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H22O2/c1-18(24)16-22(20-12-6-3-7-13-20)21-14-8-9-15-23(21)25-17-19-10-4-2-5-11-19/h2-15,22H,16-17H2,1H3/t22-/m0/s1
InChIKeyDGSLTEKKKRYTBU-QFIPXVFZSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(3R)-3-phenyl-3-[2-phenylmethoxy-5-(phenylmethoxymethyl)phenyl]propanoyl chloride
CID 87321104
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one?
The IUPAC name of (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one (CID 59906121) is (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one.
What is the SMILES notation for (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one?
The canonical SMILES for (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one is CC(=O)C[C@@H](c1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one?
The InChIKey is DGSLTEKKKRYTBU-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22O2/c1-18(24)16-22(20-12-6-3-7-13-20)21-14-8-9-15-23(21)25-17-19-10-4-2-5-11-19/h2-15,22H,16-17H2,1H3/t22-/m0/s1.
What are the key properties of (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one?
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one has a molecular weight of 330.43 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one is sourced from PubChem (CID 59906121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).