1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene

C18H13Br2Cl — CID 79593048

IUPAC1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
SMILESClc1ccc(C(Br)Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C18H13Br2Cl/c19-13-7-5-12(6-8-13)11-17(20)15-9-10-18(21)16-4-2-1-3-14(15)16/h1-10,17H,11H2
InChIKeyKKEJOPVKHVTAPC-UHFFFAOYSA-N
MW424.56 g/mol
LogP6.93
Rot. Bonds3

About 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene

1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene (PubChem CID 79593048) has the molecular formula C18H13Br2Cl and a molecular weight of 424.56 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
PubChem CID79593048
Molecular FormulaC18H13Br2Cl
Molecular Weight424.56 g/mol
Exact Mass421.91
IUPAC Name1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
SMILESClc1ccc(C(Br)Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C18H13Br2Cl/c19-13-7-5-12(6-8-13)11-17(20)15-9-10-18(21)16-4-2-1-3-14(15)16/h1-10,17H,11H2
InChIKeyKKEJOPVKHVTAPC-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 56.93
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-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]naphthalene
CID 79590920
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
CID 79592129
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
4-bromo-2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-chlorobenzene
CID 63542384

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene?
The IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene (CID 79593048) is 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene?
The canonical SMILES for 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene is Clc1ccc(C(Br)Cc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene?
The InChIKey is KKEJOPVKHVTAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2Cl/c19-13-7-5-12(6-8-13)11-17(20)15-9-10-18(21)16-4-2-1-3-14(15)16/h1-10,17H,11H2.
What are the key properties of 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene?
1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene has a molecular weight of 424.56 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene is sourced from PubChem (CID 79593048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).