1-(chloromethyl)-2-(1-phenylethyl)benzene

C15H15Cl — CID 3024466

IUPAC1-(chloromethyl)-2-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1ccccc1CCl
InChIInChI=1S/C15H15Cl/c1-12(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10,12H,11H2,1H3
InChIKeyPIMAHAFHAWIYFM-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.58
Rot. Bonds3

About 1-(chloromethyl)-2-(1-phenylethyl)benzene

1-(chloromethyl)-2-(1-phenylethyl)benzene (PubChem CID 3024466) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(1-phenylethyl)benzene
PubChem CID3024466
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-(chloromethyl)-2-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1ccccc1CCl
InChIInChI=1S/C15H15Cl/c1-12(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10,12H,11H2,1H3
InChIKeyPIMAHAFHAWIYFM-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.58
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 1-(chloromethyl)-2-(1-phenylethyl)benzene?
The IUPAC name of 1-(chloromethyl)-2-(1-phenylethyl)benzene (CID 3024466) is 1-(chloromethyl)-2-(1-phenylethyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-2-(1-phenylethyl)benzene?
The canonical SMILES for 1-(chloromethyl)-2-(1-phenylethyl)benzene is CC(c1ccccc1)c1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(1-phenylethyl)benzene?
The InChIKey is PIMAHAFHAWIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-12(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10,12H,11H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(1-phenylethyl)benzene?
1-(chloromethyl)-2-(1-phenylethyl)benzene has a molecular weight of 230.74 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(1-phenylethyl)benzene is sourced from PubChem (CID 3024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).