1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene

C17H16Cl2 — CID 63543000

IUPAC1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H16Cl2/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyQHWRZSMRTNTIER-UHFFFAOYSA-N
MW291.22 g/mol
LogP5.22
Rot. Bonds4

About 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene

1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene (PubChem CID 63543000) has the molecular formula C17H16Cl2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene
PubChem CID63543000
Molecular FormulaC17H16Cl2
Molecular Weight291.22 g/mol
Exact Mass290.06
IUPAC Name1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H16Cl2/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9,16H,10-12H2
InChIKeyQHWRZSMRTNTIER-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 55.22
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

2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
CID 114854613
2-(4-methylphenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080555
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353
1-[chloro-(1-phenylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 63435342
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
2-bromo-1-[1-(4-chlorophenyl)cyclobutyl]-3-phenylpropan-1-one
CID 21258466
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303
[2-(4-bromophenyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217191
4-[chloro-(1-phenylcyclopropyl)methyl]-1,2-difluorobenzene
CID 55197558
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924
1-chloro-4-(2-isocyano-3-phenylpropyl)benzene
CID 22215070

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene (CID 63543000) is 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene is Clc1ccc(CC(Cl)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene?
The InChIKey is QHWRZSMRTNTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9,16H,10-12H2.
What are the key properties of 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene?
1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene has a molecular weight of 291.22 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene is sourced from PubChem (CID 63543000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).