7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane

C14H17Cl — CID 73200035

IUPAC7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1C2(Cl)c1ccccc1
InChIInChI=1S/C14H17Cl/c1-13-10-6-5-9-12(13)14(13,15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyJSYRBZJLFACRKA-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.33
Rot. Bonds1

About 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane

7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane (PubChem CID 73200035) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane
PubChem CID73200035
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1C2(Cl)c1ccccc1
InChIInChI=1S/C14H17Cl/c1-13-10-6-5-9-12(13)14(13,15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyJSYRBZJLFACRKA-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane?
The IUPAC name of 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane (CID 73200035) is 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane.
What is the SMILES notation for 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane?
The canonical SMILES for 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane is CC12CCCCC1C2(Cl)c1ccccc1.
What is the InChIKey of 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane?
The InChIKey is JSYRBZJLFACRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c1-13-10-6-5-9-12(13)14(13,15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane?
7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane has a molecular weight of 220.74 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane is sourced from PubChem (CID 73200035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).