1-chloro-2-(4-chlorophenyl)benzene;dichloromethane

C13H10Cl4 — CID 175257983

IUPAC1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
SMILESClCCl.Clc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C12H8Cl2.CH2Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;2-1-3/h1-8H;1H2
InChIKeyDONMEAYKZIGYGD-UHFFFAOYSA-N
MW308.04 g/mol
LogP6.08
Rot. Bonds1

About 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane

1-chloro-2-(4-chlorophenyl)benzene;dichloromethane (PubChem CID 175257983) has the molecular formula C13H10Cl4 and a molecular weight of 308.04 g/mol. Its IUPAC name is 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane.

Molecular Properties

Compound Name1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
PubChem CID175257983
Molecular FormulaC13H10Cl4
Molecular Weight308.04 g/mol
Exact Mass305.95
IUPAC Name1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
SMILESClCCl.Clc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C12H8Cl2.CH2Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;2-1-3/h1-8H;1H2
InChIKeyDONMEAYKZIGYGD-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.04
LogP ≤ 56.08
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

1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
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3-(2-chlorophenyl)-6-(4-chlorophenyl)-1,2,4,5-tetrazine
CID 849920
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
1-chloro-2-phenylbenzene;phosphorous acid
CID 174579348
1-chloro-2-(4-methylsulfanylphenyl)benzene
CID 123340563
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
CID 25110809
4-(2-chlorophenyl)benzenesulfonic acid
CID 82134205
[2-(4-chlorophenyl)phenyl]-diphenylborane
CID 141204826

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane?
The IUPAC name of 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane (CID 175257983) is 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane.
What is the SMILES notation for 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane?
The canonical SMILES for 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane is ClCCl.Clc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane?
The InChIKey is DONMEAYKZIGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2.CH2Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;2-1-3/h1-8H;1H2.
What are the key properties of 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane?
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane has a molecular weight of 308.04 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-chlorophenyl)benzene;dichloromethane is sourced from PubChem (CID 175257983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).