chloromethylbenzene;methane

C9H15Cl — CID 174969037

IUPACchloromethylbenzene;methane
SMILESC.C.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.2CH4/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H4
InChIKeyZGHBEEKHAUHAES-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.70
Rot. Bonds1

About chloromethylbenzene;methane

chloromethylbenzene;methane (PubChem CID 174969037) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is chloromethylbenzene;methane.

Molecular Properties

Compound Namechloromethylbenzene;methane
PubChem CID174969037
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Namechloromethylbenzene;methane
SMILESC.C.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.2CH4/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H4
InChIKeyZGHBEEKHAUHAES-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.70
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

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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;methane?
The IUPAC name of chloromethylbenzene;methane (CID 174969037) is chloromethylbenzene;methane.
What is the SMILES notation for chloromethylbenzene;methane?
The canonical SMILES for chloromethylbenzene;methane is C.C.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;methane?
The InChIKey is ZGHBEEKHAUHAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.2CH4/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H4.
What are the key properties of chloromethylbenzene;methane?
chloromethylbenzene;methane has a molecular weight of 158.67 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;methane is sourced from PubChem (CID 174969037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).