1-(chloromethyl)-4-phenylbenzene

C13H11Cl — CID 15463

IUPAC1-(chloromethyl)-4-phenylbenzene
SMILESClCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyHLQZCRVEEQKNMS-UHFFFAOYSA-N
MW202.68 g/mol
LogP4.09
Rot. Bonds2

About 1-(chloromethyl)-4-phenylbenzene

1-(chloromethyl)-4-phenylbenzene (PubChem CID 15463) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-phenylbenzene
PubChem CID15463
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name1-(chloromethyl)-4-phenylbenzene
SMILESClCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyHLQZCRVEEQKNMS-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.09
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

1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
chloromethylbenzene;ruthenium
CID 161305198
chloromethylbenzene;methane
CID 174969037
CID 18435300
CID 18435300
2-(chloromethyl)azulene
CID 58786145
chloromethylbenzene;1,2-dichloroethane
CID 160867492
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
chloromethylbenzene;formaldehyde
CID 157080705
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
(4-phenylphenyl)methanethiolate
CID 101163476
chloromethylbenzene;N-methylmethanamine
CID 21478070

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-phenylbenzene?
The IUPAC name of 1-(chloromethyl)-4-phenylbenzene (CID 15463) is 1-(chloromethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-phenylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-phenylbenzene is ClCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-phenylbenzene?
The InChIKey is HLQZCRVEEQKNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-(chloromethyl)-4-phenylbenzene?
1-(chloromethyl)-4-phenylbenzene has a molecular weight of 202.68 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-phenylbenzene is sourced from PubChem (CID 15463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).