(2-chloro-2,3-dimethylcyclopropyl)benzene

C11H13Cl — CID 589290

IUPAC(2-chloro-2,3-dimethylcyclopropyl)benzene
SMILESCC1C(c2ccccc2)C1(C)Cl
InChIInChI=1S/C11H13Cl/c1-8-10(11(8,2)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyHOHNSLKFOKWCFX-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.42
Rot. Bonds1

About (2-chloro-2,3-dimethylcyclopropyl)benzene

(2-chloro-2,3-dimethylcyclopropyl)benzene (PubChem CID 589290) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is (2-chloro-2,3-dimethylcyclopropyl)benzene.

Molecular Properties

Compound Name(2-chloro-2,3-dimethylcyclopropyl)benzene
PubChem CID589290
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name(2-chloro-2,3-dimethylcyclopropyl)benzene
SMILESCC1C(c2ccccc2)C1(C)Cl
InChIInChI=1S/C11H13Cl/c1-8-10(11(8,2)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyHOHNSLKFOKWCFX-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.42
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

(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
2,4,4-trimethyl-3-phenyloxolane
CID 78139308
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
CID 13149947
(1S,2S,3S)-2-methyl-1,3-diphenylcyclopropane-1-carbaldehyde
CID 135068729
(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
CID 131847538
N,2,2-trimethyl-3,4-diphenylcyclobutan-1-amine
CID 81422447
5-chloro-5-methyl-6-phenylcyclohexa-1,3-diene
CID 70549664
(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
(2,2-dichloro-3-hexylcyclopropyl)benzene
CID 524146
benzene;chlorobenzene
CID 159657667
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2,3-dimethylcyclopropyl)benzene?
The IUPAC name of (2-chloro-2,3-dimethylcyclopropyl)benzene (CID 589290) is (2-chloro-2,3-dimethylcyclopropyl)benzene.
What is the SMILES notation for (2-chloro-2,3-dimethylcyclopropyl)benzene?
The canonical SMILES for (2-chloro-2,3-dimethylcyclopropyl)benzene is CC1C(c2ccccc2)C1(C)Cl.
What is the InChIKey of (2-chloro-2,3-dimethylcyclopropyl)benzene?
The InChIKey is HOHNSLKFOKWCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-8-10(11(8,2)12)9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of (2-chloro-2,3-dimethylcyclopropyl)benzene?
(2-chloro-2,3-dimethylcyclopropyl)benzene has a molecular weight of 180.68 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2,3-dimethylcyclopropyl)benzene is sourced from PubChem (CID 589290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).