1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene

C14H11Br2Cl — CID 63542515

IUPAC1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
SMILESClC(Cc1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H11Br2Cl/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14H,8H2
InChIKeyMNSLEYBZFRPIFC-UHFFFAOYSA-N
MW374.50 g/mol
LogP5.73
Rot. Bonds3

About 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene

1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene (PubChem CID 63542515) has the molecular formula C14H11Br2Cl and a molecular weight of 374.50 g/mol. Its IUPAC name is 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
PubChem CID63542515
Molecular FormulaC14H11Br2Cl
Molecular Weight374.50 g/mol
Exact Mass371.89
IUPAC Name1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
SMILESClC(Cc1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H11Br2Cl/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14H,8H2
InChIKeyMNSLEYBZFRPIFC-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 55.73
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

2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
CID 63520369
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 107957989
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145
1-bromo-3-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]benzene
CID 63432687
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The IUPAC name of 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene (CID 63542515) is 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene is ClC(Cc1cccc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The InChIKey is MNSLEYBZFRPIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14H,8H2.
What are the key properties of 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene?
1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene has a molecular weight of 374.50 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene is sourced from PubChem (CID 63542515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).