chloroform;propan-2-one;styrene

C12H15Cl3O — CID 70453221

IUPACchloroform;propan-2-one;styrene
SMILESC=Cc1ccccc1.CC(C)=O.ClC(Cl)Cl
InChIInChI=1S/C8H8.C3H6O.CHCl3/c1-2-8-6-4-3-5-7-8;1-3(2)4;2-1(3)4/h2-7H,1H2;1-2H3;1H
InChIKeyBUABMAHCWOXYLK-UHFFFAOYSA-N
MW281.61 g/mol
LogP4.91
Rot. Bonds1

About chloroform;propan-2-one;styrene

chloroform;propan-2-one;styrene (PubChem CID 70453221) has the molecular formula C12H15Cl3O and a molecular weight of 281.61 g/mol. Its IUPAC name is chloroform;propan-2-one;styrene.

Molecular Properties

Compound Namechloroform;propan-2-one;styrene
PubChem CID70453221
Molecular FormulaC12H15Cl3O
Molecular Weight281.61 g/mol
Exact Mass280.02
IUPAC Namechloroform;propan-2-one;styrene
SMILESC=Cc1ccccc1.CC(C)=O.ClC(Cl)Cl
InChIInChI=1S/C8H8.C3H6O.CHCl3/c1-2-8-6-4-3-5-7-8;1-3(2)4;2-1(3)4/h2-7H,1H2;1-2H3;1H
InChIKeyBUABMAHCWOXYLK-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;propan-2-one;styrene?
The IUPAC name of chloroform;propan-2-one;styrene (CID 70453221) is chloroform;propan-2-one;styrene.
What is the SMILES notation for chloroform;propan-2-one;styrene?
The canonical SMILES for chloroform;propan-2-one;styrene is C=Cc1ccccc1.CC(C)=O.ClC(Cl)Cl.
What is the InChIKey of chloroform;propan-2-one;styrene?
The InChIKey is BUABMAHCWOXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H6O.CHCl3/c1-2-8-6-4-3-5-7-8;1-3(2)4;2-1(3)4/h2-7H,1H2;1-2H3;1H.
What are the key properties of chloroform;propan-2-one;styrene?
chloroform;propan-2-one;styrene has a molecular weight of 281.61 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;propan-2-one;styrene is sourced from PubChem (CID 70453221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).