(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one

C16H15ClO — CID 125485256

IUPAC(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO/c1-12(18)16(11-13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyLRYBETFZHXWLEL-INIZCTEOSA-N
MW258.75 g/mol
LogP4.26
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one

(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one (PubChem CID 125485256) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
PubChem CID125485256
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO/c1-12(18)16(11-13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyLRYBETFZHXWLEL-INIZCTEOSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-(4-chlorophenyl)-4-phenylbutan-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

(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-one
CID 11473183
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
CID 110354795
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
3-[(2S)-1-(4-chlorophenyl)-3-oxobutan-2-yl]benzonitrile
CID 93476656
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one (CID 125485256) is (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one is CC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one?
The InChIKey is LRYBETFZHXWLEL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15ClO/c1-12(18)16(11-13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-10,16H,11H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one?
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one has a molecular weight of 258.75 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 125485256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).