benzene;dichloromethane;2-methylpropan-1-ol

C11H18Cl2O — CID 70594153

IUPACbenzene;dichloromethane;2-methylpropan-1-ol
SMILESCC(C)CO.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.C4H10O.CH2Cl2/c1-2-4-6-5-3-1;1-4(2)3-5;2-1-3/h1-6H;4-5H,3H2,1-2H3;1H2
InChIKeyNUPHBEKNWLIHEH-UHFFFAOYSA-N
MW237.17 g/mol
LogP3.74
Rot. Bonds1

About benzene;dichloromethane;2-methylpropan-1-ol

benzene;dichloromethane;2-methylpropan-1-ol (PubChem CID 70594153) has the molecular formula C11H18Cl2O and a molecular weight of 237.17 g/mol. Its IUPAC name is benzene;dichloromethane;2-methylpropan-1-ol.

Molecular Properties

Compound Namebenzene;dichloromethane;2-methylpropan-1-ol
PubChem CID70594153
Molecular FormulaC11H18Cl2O
Molecular Weight237.17 g/mol
Exact Mass236.07
IUPAC Namebenzene;dichloromethane;2-methylpropan-1-ol
SMILESCC(C)CO.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.C4H10O.CH2Cl2/c1-2-4-6-5-3-1;1-4(2)3-5;2-1-3/h1-6H;4-5H,3H2,1-2H3;1H2
InChIKeyNUPHBEKNWLIHEH-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 benzene;dichloromethane;2-methylpropan-1-ol?
The IUPAC name of benzene;dichloromethane;2-methylpropan-1-ol (CID 70594153) is benzene;dichloromethane;2-methylpropan-1-ol.
What is the SMILES notation for benzene;dichloromethane;2-methylpropan-1-ol?
The canonical SMILES for benzene;dichloromethane;2-methylpropan-1-ol is CC(C)CO.ClCCl.c1ccccc1.
What is the InChIKey of benzene;dichloromethane;2-methylpropan-1-ol?
The InChIKey is NUPHBEKNWLIHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10O.CH2Cl2/c1-2-4-6-5-3-1;1-4(2)3-5;2-1-3/h1-6H;4-5H,3H2,1-2H3;1H2.
What are the key properties of benzene;dichloromethane;2-methylpropan-1-ol?
benzene;dichloromethane;2-methylpropan-1-ol has a molecular weight of 237.17 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dichloromethane;2-methylpropan-1-ol is sourced from PubChem (CID 70594153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).