chlorobenzene;propane;toluene

C16H21Cl — CID 145259761

IUPACchlorobenzene;propane;toluene
SMILESCCC.Cc1ccccc1.Clc1ccccc1
InChIInChI=1S/C7H8.C6H5Cl.C3H8/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-3-2/h2-6H,1H3;1-5H;3H2,1-2H3
InChIKeyXFFDSAFZNJNWDU-UHFFFAOYSA-N
MW248.80 g/mol
LogP5.75
Rot. Bonds

About chlorobenzene;propane;toluene

chlorobenzene;propane;toluene (PubChem CID 145259761) has the molecular formula C16H21Cl and a molecular weight of 248.80 g/mol. Its IUPAC name is chlorobenzene;propane;toluene.

Molecular Properties

Compound Namechlorobenzene;propane;toluene
PubChem CID145259761
Molecular FormulaC16H21Cl
Molecular Weight248.80 g/mol
Exact Mass248.13
IUPAC Namechlorobenzene;propane;toluene
SMILESCCC.Cc1ccccc1.Clc1ccccc1
InChIInChI=1S/C7H8.C6H5Cl.C3H8/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-3-2/h2-6H,1H3;1-5H;3H2,1-2H3
InChIKeyXFFDSAFZNJNWDU-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.80
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;propane;toluene?
The IUPAC name of chlorobenzene;propane;toluene (CID 145259761) is chlorobenzene;propane;toluene.
What is the SMILES notation for chlorobenzene;propane;toluene?
The canonical SMILES for chlorobenzene;propane;toluene is CCC.Cc1ccccc1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;propane;toluene?
The InChIKey is XFFDSAFZNJNWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H5Cl.C3H8/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;1-3-2/h2-6H,1H3;1-5H;3H2,1-2H3.
What are the key properties of chlorobenzene;propane;toluene?
chlorobenzene;propane;toluene has a molecular weight of 248.80 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;propane;toluene is sourced from PubChem (CID 145259761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).