lithium (2-chloro-1-phenylcyclopropyl)benzene

C15H12ClLi — CID 16686610

IUPAClithium (2-chloro-1-phenylcyclopropyl)benzene
SMILESCl[C-]1CC1(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C15H12Cl.Li/c16-14-11-15(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2;/q-1;+1
InChIKeyYZPQVZFPESCTDD-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.15
Rot. Bonds2

About lithium (2-chloro-1-phenylcyclopropyl)benzene

lithium (2-chloro-1-phenylcyclopropyl)benzene (PubChem CID 16686610) has the molecular formula C15H12ClLi and a molecular weight of 234.66 g/mol. Its IUPAC name is lithium (2-chloro-1-phenylcyclopropyl)benzene.

Molecular Properties

Compound Namelithium (2-chloro-1-phenylcyclopropyl)benzene
PubChem CID16686610
Molecular FormulaC15H12ClLi
Molecular Weight234.66 g/mol
Exact Mass234.08
IUPAC Namelithium (2-chloro-1-phenylcyclopropyl)benzene
SMILESCl[C-]1CC1(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C15H12Cl.Li/c16-14-11-15(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2;/q-1;+1
InChIKeyYZPQVZFPESCTDD-UHFFFAOYSA-N
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1,2,2-trichlorocyclopropyl]benzene
CID 95239829
CID 177449695
CID 177449695
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
1,4-diphenyl-7-phosphabicyclo[2.2.1]hept-2-ene
CID 58051202
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
CID 101347638
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(1-iodocyclopropyl)benzene
CID 68648417

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-1-phenylcyclopropyl)benzene?
The IUPAC name of lithium (2-chloro-1-phenylcyclopropyl)benzene (CID 16686610) is lithium (2-chloro-1-phenylcyclopropyl)benzene.
What is the SMILES notation for lithium (2-chloro-1-phenylcyclopropyl)benzene?
The canonical SMILES for lithium (2-chloro-1-phenylcyclopropyl)benzene is Cl[C-]1CC1(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium (2-chloro-1-phenylcyclopropyl)benzene?
The InChIKey is YZPQVZFPESCTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl.Li/c16-14-11-15(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2;/q-1;+1.
What are the key properties of lithium (2-chloro-1-phenylcyclopropyl)benzene?
lithium (2-chloro-1-phenylcyclopropyl)benzene has a molecular weight of 234.66 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-1-phenylcyclopropyl)benzene is sourced from PubChem (CID 16686610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).