1-(1-bromoethyl)-2-chloro-4-phenylbenzene

C14H12BrCl — CID 67619990

IUPAC1-(1-bromoethyl)-2-chloro-4-phenylbenzene
SMILESCC(Br)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C14H12BrCl/c1-10(15)13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyYQJBPYZYYSRTCM-UHFFFAOYSA-N
MW295.61 g/mol
LogP5.46
Rot. Bonds2

About 1-(1-bromoethyl)-2-chloro-4-phenylbenzene

1-(1-bromoethyl)-2-chloro-4-phenylbenzene (PubChem CID 67619990) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 1-(1-bromoethyl)-2-chloro-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-bromoethyl)-2-chloro-4-phenylbenzene
PubChem CID67619990
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name1-(1-bromoethyl)-2-chloro-4-phenylbenzene
SMILESCC(Br)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C14H12BrCl/c1-10(15)13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyYQJBPYZYYSRTCM-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.61
LogP ≤ 55.46
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-bromoethyl)-2-chloro-4-phenylbenzene?
The IUPAC name of 1-(1-bromoethyl)-2-chloro-4-phenylbenzene (CID 67619990) is 1-(1-bromoethyl)-2-chloro-4-phenylbenzene.
What is the SMILES notation for 1-(1-bromoethyl)-2-chloro-4-phenylbenzene?
The canonical SMILES for 1-(1-bromoethyl)-2-chloro-4-phenylbenzene is CC(Br)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(1-bromoethyl)-2-chloro-4-phenylbenzene?
The InChIKey is YQJBPYZYYSRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c1-10(15)13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-(1-bromoethyl)-2-chloro-4-phenylbenzene?
1-(1-bromoethyl)-2-chloro-4-phenylbenzene has a molecular weight of 295.61 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-2-chloro-4-phenylbenzene is sourced from PubChem (CID 67619990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).