1-(1,1-dichloroethyl)-4-phenylbenzene

C14H12Cl2 — CID 15702295

IUPAC1-(1,1-dichloroethyl)-4-phenylbenzene
SMILESCC(Cl)(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12Cl2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBKGBOFBZFAYVHG-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.00
Rot. Bonds2

About 1-(1,1-dichloroethyl)-4-phenylbenzene

1-(1,1-dichloroethyl)-4-phenylbenzene (PubChem CID 15702295) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-(1,1-dichloroethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1,1-dichloroethyl)-4-phenylbenzene
PubChem CID15702295
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-(1,1-dichloroethyl)-4-phenylbenzene
SMILESCC(Cl)(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12Cl2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBKGBOFBZFAYVHG-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.00
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-(1,1-dichloroethyl)-4-phenylbenzene?
The IUPAC name of 1-(1,1-dichloroethyl)-4-phenylbenzene (CID 15702295) is 1-(1,1-dichloroethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1,1-dichloroethyl)-4-phenylbenzene?
The canonical SMILES for 1-(1,1-dichloroethyl)-4-phenylbenzene is CC(Cl)(Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1,1-dichloroethyl)-4-phenylbenzene?
The InChIKey is BKGBOFBZFAYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-(1,1-dichloroethyl)-4-phenylbenzene?
1-(1,1-dichloroethyl)-4-phenylbenzene has a molecular weight of 251.16 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichloroethyl)-4-phenylbenzene is sourced from PubChem (CID 15702295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).