chloromethane;styrene

C9H11Cl — CID 122701035

IUPACchloromethane;styrene
SMILESC=Cc1ccccc1.CCl
InChIInChI=1S/C8H8.CH3Cl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;1H3
InChIKeyBYOAQLJVXKAQJQ-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.18
Rot. Bonds1

About chloromethane;styrene

chloromethane;styrene (PubChem CID 122701035) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is chloromethane;styrene.

Molecular Properties

Compound Namechloromethane;styrene
PubChem CID122701035
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Namechloromethane;styrene
SMILESC=Cc1ccccc1.CCl
InChIInChI=1S/C8H8.CH3Cl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;1H3
InChIKeyBYOAQLJVXKAQJQ-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.18
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 chloromethane;styrene?
The IUPAC name of chloromethane;styrene (CID 122701035) is chloromethane;styrene.
What is the SMILES notation for chloromethane;styrene?
The canonical SMILES for chloromethane;styrene is C=Cc1ccccc1.CCl.
What is the InChIKey of chloromethane;styrene?
The InChIKey is BYOAQLJVXKAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH3Cl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;1H3.
What are the key properties of chloromethane;styrene?
chloromethane;styrene has a molecular weight of 154.64 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;styrene is sourced from PubChem (CID 122701035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).