7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene

C15H13Cl — CID 66394223

IUPAC7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESClC(c1ccccc1)C1Cc2ccccc21
InChIInChI=1S/C15H13Cl/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2
InChIKeyCAIFBFDWXVHQRD-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.31
Rot. Bonds2

About 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene

7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 66394223) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID66394223
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESClC(c1ccccc1)C1Cc2ccccc21
InChIInChI=1S/C15H13Cl/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2
InChIKeyCAIFBFDWXVHQRD-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.31
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(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene (CID 66394223) is 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene is ClC(c1ccccc1)C1Cc2ccccc21.
What is the InChIKey of 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is CAIFBFDWXVHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h1-9,14-15H,10H2.
What are the key properties of 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 228.72 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(phenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 66394223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).