[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene

C16H16Cl2O — CID 98043941

IUPAC[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
SMILESCl[C@H](Cc1ccccc1)O[C@@H](Cl)Cc1ccccc1
InChIInChI=1S/C16H16Cl2O/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyGLYOPNLBKCBTMI-IYBDPMFKSA-N
MW295.21 g/mol
LogP4.62
Rot. Bonds6

About [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene

[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene (PubChem CID 98043941) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene.

Molecular Properties

Compound Name[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
PubChem CID98043941
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
SMILESCl[C@H](Cc1ccccc1)O[C@@H](Cl)Cc1ccccc1
InChIInChI=1S/C16H16Cl2O/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+
InChIKeyGLYOPNLBKCBTMI-IYBDPMFKSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]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

(1S)-1-chloro-2-phenylethanethiol
CID 124584825
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
CID 141203341
1-chloro-2-phenylethanol;hydrochloride
CID 174648603
N,1-dichloro-2-phenylethanamine
CID 87755086
CID 174835367
CID 174835367
dichloromethyl (2S)-2-amino-3-phenylpropanoate
CID 174842836
azane;methyl (2R)-2-chloro-3-phenylpropanoate
CID 135340026
1,3-diphenylpropan-2-yl formate
CID 122547977
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
2,2-bis(2,2,2-tribromoethoxy)ethylbenzene
CID 54304423
(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
CID 87933101
(3-bromo-3-chloro-2-methylpropyl)benzene
CID 69284055

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene?
The IUPAC name of [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene (CID 98043941) is [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene.
What is the SMILES notation for [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene?
The canonical SMILES for [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene is Cl[C@H](Cc1ccccc1)O[C@@H](Cl)Cc1ccccc1.
What is the InChIKey of [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene?
The InChIKey is GLYOPNLBKCBTMI-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H16Cl2O/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+.
What are the key properties of [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene?
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene has a molecular weight of 295.21 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene is sourced from PubChem (CID 98043941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).