chloromethylbenzene

C7H7Cl — CID 7503

IUPACchloromethylbenzene
SMILESClCc1ccccc1
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyKCXMKQUNVWSEMD-UHFFFAOYSA-N
MW126.59 g/mol
LogP2.43
Rot. Bonds1

About chloromethylbenzene

chloromethylbenzene (PubChem CID 7503) has the molecular formula C7H7Cl and a molecular weight of 126.59 g/mol. Its IUPAC name is chloromethylbenzene.

Molecular Properties

Compound Namechloromethylbenzene
PubChem CID7503
Molecular FormulaC7H7Cl
Molecular Weight126.59 g/mol
Exact Mass126.02
IUPAC Namechloromethylbenzene
SMILESClCc1ccccc1
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyKCXMKQUNVWSEMD-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 chloromethylbenzene?
The IUPAC name of chloromethylbenzene (CID 7503) is chloromethylbenzene.
What is the SMILES notation for chloromethylbenzene?
The canonical SMILES for chloromethylbenzene is ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene?
The InChIKey is KCXMKQUNVWSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of chloromethylbenzene?
chloromethylbenzene has a molecular weight of 126.59 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene is sourced from PubChem (CID 7503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).