1-benzyl-3,5-dichlorobenzene;methane

C14H14Cl2 — CID 144850589

IUPAC1-benzyl-3,5-dichlorobenzene;methane
SMILESC.Clc1cc(Cl)cc(Cc2ccccc2)c1
InChIInChI=1S/C13H10Cl2.CH4/c14-12-7-11(8-13(15)9-12)6-10-4-2-1-3-5-10;/h1-5,7-9H,6H2;1H4
InChIKeyDRMZGFWNFUXVHW-UHFFFAOYSA-N
MW253.17 g/mol
LogP5.22
Rot. Bonds2

About 1-benzyl-3,5-dichlorobenzene;methane

1-benzyl-3,5-dichlorobenzene;methane (PubChem CID 144850589) has the molecular formula C14H14Cl2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 1-benzyl-3,5-dichlorobenzene;methane.

Molecular Properties

Compound Name1-benzyl-3,5-dichlorobenzene;methane
PubChem CID144850589
Molecular FormulaC14H14Cl2
Molecular Weight253.17 g/mol
Exact Mass252.05
IUPAC Name1-benzyl-3,5-dichlorobenzene;methane
SMILESC.Clc1cc(Cl)cc(Cc2ccccc2)c1
InChIInChI=1S/C13H10Cl2.CH4/c14-12-7-11(8-13(15)9-12)6-10-4-2-1-3-5-10;/h1-5,7-9H,6H2;1H4
InChIKeyDRMZGFWNFUXVHW-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.17
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dichlorobenzene;methane?
The IUPAC name of 1-benzyl-3,5-dichlorobenzene;methane (CID 144850589) is 1-benzyl-3,5-dichlorobenzene;methane.
What is the SMILES notation for 1-benzyl-3,5-dichlorobenzene;methane?
The canonical SMILES for 1-benzyl-3,5-dichlorobenzene;methane is C.Clc1cc(Cl)cc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3,5-dichlorobenzene;methane?
The InChIKey is DRMZGFWNFUXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2.CH4/c14-12-7-11(8-13(15)9-12)6-10-4-2-1-3-5-10;/h1-5,7-9H,6H2;1H4.
What are the key properties of 1-benzyl-3,5-dichlorobenzene;methane?
1-benzyl-3,5-dichlorobenzene;methane has a molecular weight of 253.17 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dichlorobenzene;methane is sourced from PubChem (CID 144850589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).