1-benzhydryl-2-chlorobenzene;methane

C20H19Cl — CID 159179204

IUPAC1-benzhydryl-2-chlorobenzene;methane
SMILESC.Clc1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl.CH4/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19H;1H4
InChIKeyKMRBIUIUFZHUDW-UHFFFAOYSA-N
MW294.83 g/mol
LogP6.16
Rot. Bonds3

About 1-benzhydryl-2-chlorobenzene;methane

1-benzhydryl-2-chlorobenzene;methane (PubChem CID 159179204) has the molecular formula C20H19Cl and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-benzhydryl-2-chlorobenzene;methane.

Molecular Properties

Compound Name1-benzhydryl-2-chlorobenzene;methane
PubChem CID159179204
Molecular FormulaC20H19Cl
Molecular Weight294.83 g/mol
Exact Mass294.12
IUPAC Name1-benzhydryl-2-chlorobenzene;methane
SMILESC.Clc1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl.CH4/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19H;1H4
InChIKeyKMRBIUIUFZHUDW-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.83
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2-chlorobenzene;methane?
The IUPAC name of 1-benzhydryl-2-chlorobenzene;methane (CID 159179204) is 1-benzhydryl-2-chlorobenzene;methane.
What is the SMILES notation for 1-benzhydryl-2-chlorobenzene;methane?
The canonical SMILES for 1-benzhydryl-2-chlorobenzene;methane is C.Clc1ccccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2-chlorobenzene;methane?
The InChIKey is KMRBIUIUFZHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl.CH4/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19H;1H4.
What are the key properties of 1-benzhydryl-2-chlorobenzene;methane?
1-benzhydryl-2-chlorobenzene;methane has a molecular weight of 294.83 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-chlorobenzene;methane is sourced from PubChem (CID 159179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).