[(3R)-3,4-dichlorobutyl]benzene

C10H12Cl2 — CID 129394752

IUPAC[(3R)-3,4-dichlorobutyl]benzene
SMILESClC[C@H](Cl)CCc1ccccc1
InChIInChI=1S/C10H12Cl2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyQDMYSPBSWPBQFU-SNVBAGLBSA-N
MW203.11 g/mol
LogP3.47
Rot. Bonds4

About [(3R)-3,4-dichlorobutyl]benzene

[(3R)-3,4-dichlorobutyl]benzene (PubChem CID 129394752) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is [(3R)-3,4-dichlorobutyl]benzene.

Molecular Properties

Compound Name[(3R)-3,4-dichlorobutyl]benzene
PubChem CID129394752
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name[(3R)-3,4-dichlorobutyl]benzene
SMILESClC[C@H](Cl)CCc1ccccc1
InChIInChI=1S/C10H12Cl2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyQDMYSPBSWPBQFU-SNVBAGLBSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.47
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

(3S)-3-chloro-5-phenylpentanenitrile
CID 122393568
3,5-dichloro-1,7-diphenylheptan-4-one
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1-(3,4-dichlorobutyl)-2-ethenylbenzene
CID 66808199
2-(2-chloro-4-phenylbutyl)thiophene
CID 63519028
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563
[(1S)-1-chloro-3-phenylpropyl]boronic acid
CID 67683875
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
benzene;2-phenylethylbenzene
CID 18982764
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
N-(2-chloro-4-phenylbutyl)-N-fluorobenzenesulfonamide
CID 132851189
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
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CID 67941860

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dichlorobutyl]benzene?
The IUPAC name of [(3R)-3,4-dichlorobutyl]benzene (CID 129394752) is [(3R)-3,4-dichlorobutyl]benzene.
What is the SMILES notation for [(3R)-3,4-dichlorobutyl]benzene?
The canonical SMILES for [(3R)-3,4-dichlorobutyl]benzene is ClC[C@H](Cl)CCc1ccccc1.
What is the InChIKey of [(3R)-3,4-dichlorobutyl]benzene?
The InChIKey is QDMYSPBSWPBQFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12Cl2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1.
What are the key properties of [(3R)-3,4-dichlorobutyl]benzene?
[(3R)-3,4-dichlorobutyl]benzene has a molecular weight of 203.11 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dichlorobutyl]benzene is sourced from PubChem (CID 129394752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).