1-chloro-2-[(1S)-1-phenylpropyl]benzene

C15H15Cl — CID 126732807

IUPAC1-chloro-2-[(1S)-1-phenylpropyl]benzene
SMILESCC[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H15Cl/c1-2-13(12-8-4-3-5-9-12)14-10-6-7-11-15(14)16/h3-11,13H,2H2,1H3/t13-/m0/s1
InChIKeyRAYKYDBGSCMCCC-ZDUSSCGKSA-N
MW230.74 g/mol
LogP4.88
Rot. Bonds3

About 1-chloro-2-[(1S)-1-phenylpropyl]benzene

1-chloro-2-[(1S)-1-phenylpropyl]benzene (PubChem CID 126732807) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-chloro-2-[(1S)-1-phenylpropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(1S)-1-phenylpropyl]benzene
PubChem CID126732807
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-chloro-2-[(1S)-1-phenylpropyl]benzene
SMILESCC[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H15Cl/c1-2-13(12-8-4-3-5-9-12)14-10-6-7-11-15(14)16/h3-11,13H,2H2,1H3/t13-/m0/s1
InChIKeyRAYKYDBGSCMCCC-ZDUSSCGKSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-[(1S)-1-phenylpropyl]benzene 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

1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
CID 88515182
CID 88515182
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
oxalic acid;1-phenylpropylbenzene
CID 67824543
2-(2-chlorophenyl)butanoate
CID 22456439
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1S)-1-phenylpropyl]benzene?
The IUPAC name of 1-chloro-2-[(1S)-1-phenylpropyl]benzene (CID 126732807) is 1-chloro-2-[(1S)-1-phenylpropyl]benzene.
What is the SMILES notation for 1-chloro-2-[(1S)-1-phenylpropyl]benzene?
The canonical SMILES for 1-chloro-2-[(1S)-1-phenylpropyl]benzene is CC[C@@H](c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1S)-1-phenylpropyl]benzene?
The InChIKey is RAYKYDBGSCMCCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15Cl/c1-2-13(12-8-4-3-5-9-12)14-10-6-7-11-15(14)16/h3-11,13H,2H2,1H3/t13-/m0/s1.
What are the key properties of 1-chloro-2-[(1S)-1-phenylpropyl]benzene?
1-chloro-2-[(1S)-1-phenylpropyl]benzene has a molecular weight of 230.74 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1S)-1-phenylpropyl]benzene is sourced from PubChem (CID 126732807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).