2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene

C18H14BrI — CID 63544103

IUPAC2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
SMILESBrC(Cc1ccc2ccccc2c1)c1cccc(I)c1
InChIInChI=1S/C18H14BrI/c19-18(16-6-3-7-17(20)12-16)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2
InChIKeyVWNFTRXDHXXYPE-UHFFFAOYSA-N
MW437.12 g/mol
LogP6.12
Rot. Bonds3

About 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene

2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene (PubChem CID 63544103) has the molecular formula C18H14BrI and a molecular weight of 437.12 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
PubChem CID63544103
Molecular FormulaC18H14BrI
Molecular Weight437.12 g/mol
Exact Mass435.93
IUPAC Name2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
SMILESBrC(Cc1ccc2ccccc2c1)c1cccc(I)c1
InChIInChI=1S/C18H14BrI/c19-18(16-6-3-7-17(20)12-16)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2
InChIKeyVWNFTRXDHXXYPE-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.12
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526846
1-[2-bromo-2-(3-iodophenyl)ethyl]-3-methoxybenzene
CID 55224846
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
CID 63543067
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
CID 63542887
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939
2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 63544447
2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
CID 63520369
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
3-bromo-3-(3-iodophenyl)propanoic acid
CID 57067550

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene?
The IUPAC name of 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene (CID 63544103) is 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene is BrC(Cc1ccc2ccccc2c1)c1cccc(I)c1.
What is the InChIKey of 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene?
The InChIKey is VWNFTRXDHXXYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrI/c19-18(16-6-3-7-17(20)12-16)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2.
What are the key properties of 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene?
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene has a molecular weight of 437.12 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene is sourced from PubChem (CID 63544103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).