1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene

C26H22Cl2 — CID 175216285

IUPAC1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene
SMILESCc1ccccc1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14Cl2.C7H8/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7-5-3-2-4-6-7/h1-14H;2-6H,1H3
InChIKeyVHQUTRYYACYDHJ-UHFFFAOYSA-N
MW405.37 g/mol
LogP7.87
Rot. Bonds3

About 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene

1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene (PubChem CID 175216285) has the molecular formula C26H22Cl2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene.

Molecular Properties

Compound Name1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene
PubChem CID175216285
Molecular FormulaC26H22Cl2
Molecular Weight405.37 g/mol
Exact Mass404.11
IUPAC Name1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene
SMILESCc1ccccc1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14Cl2.C7H8/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7-5-3-2-4-6-7/h1-14H;2-6H,1H3
InChIKeyVHQUTRYYACYDHJ-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane
CID 131738414
benzene;tetrachloromethane;toluene
CID 172748154
chloromethane;toluene
CID 178022822
1-chloro-2-(trichloromethyl)benzene
CID 16494
2-chloro-2-methylpropane;toluene
CID 67707971
1-chloro-2-[iodo(diphenyl)methyl]benzene
CID 143164382
chloromethane;toluene;dihydrochloride
CID 174689155
1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;9H-fluoren-9-ylmethyl N-[2-(2-chlorophenyl)-2-(4-methylphenyl)-2-phenylethyl]carbamate
CID 165047723
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
benzene;toluene
CID 158487474
titanium(2+);toluene
CID 22023820
methylcyclotriacontapentadecaene
CID 101240530

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene?
The IUPAC name of 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene (CID 175216285) is 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene.
What is the SMILES notation for 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene?
The canonical SMILES for 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene is Cc1ccccc1.Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene?
The InChIKey is VHQUTRYYACYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2.C7H8/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7-5-3-2-4-6-7/h1-14H;2-6H,1H3.
What are the key properties of 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene?
1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene has a molecular weight of 405.37 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene is sourced from PubChem (CID 175216285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).