[(1R)-1-chloroethyl]benzene

C8H9Cl — CID 642190

IUPAC[(1R)-1-chloroethyl]benzene
SMILESC[C@@H](Cl)c1ccccc1
InChIInChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
InChIKeyGTLWADFFABIGAE-SSDOTTSWSA-N
MW140.61 g/mol
LogP2.99
Rot. Bonds1

About [(1R)-1-chloroethyl]benzene

[(1R)-1-chloroethyl]benzene (PubChem CID 642190) has the molecular formula C8H9Cl and a molecular weight of 140.61 g/mol. Its IUPAC name is [(1R)-1-chloroethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-chloroethyl]benzene
PubChem CID642190
Molecular FormulaC8H9Cl
Molecular Weight140.61 g/mol
Exact Mass140.04
IUPAC Name[(1R)-1-chloroethyl]benzene
SMILESC[C@@H](Cl)c1ccccc1
InChIInChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
InChIKeyGTLWADFFABIGAE-SSDOTTSWSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
dichloromethylbenzene
CID 7411
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
1-phenylethylbenzene;stibane
CID 174965918
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;2-methylpropane
CID 90828344

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-chloroethyl]benzene?
The IUPAC name of [(1R)-1-chloroethyl]benzene (CID 642190) is [(1R)-1-chloroethyl]benzene.
What is the SMILES notation for [(1R)-1-chloroethyl]benzene?
The canonical SMILES for [(1R)-1-chloroethyl]benzene is C[C@@H](Cl)c1ccccc1.
What is the InChIKey of [(1R)-1-chloroethyl]benzene?
The InChIKey is GTLWADFFABIGAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1.
What are the key properties of [(1R)-1-chloroethyl]benzene?
[(1R)-1-chloroethyl]benzene has a molecular weight of 140.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-chloroethyl]benzene is sourced from PubChem (CID 642190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).