2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene

C20H19Br — CID 63543067

IUPAC2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
SMILESCc1cc(C)cc(C(Br)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19Br/c1-14-9-15(2)11-19(10-14)20(21)13-16-7-8-17-5-3-4-6-18(17)12-16/h3-12,20H,13H2,1-2H3
InChIKeyUFCBIXGUBFIESH-UHFFFAOYSA-N
MW339.28 g/mol
LogP6.14
Rot. Bonds3

About 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene

2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene (PubChem CID 63543067) has the molecular formula C20H19Br and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
PubChem CID63543067
Molecular FormulaC20H19Br
Molecular Weight339.28 g/mol
Exact Mass338.07
IUPAC Name2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
SMILESCc1cc(C)cc(C(Br)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19Br/c1-14-9-15(2)11-19(10-14)20(21)13-16-7-8-17-5-3-4-6-18(17)12-16/h3-12,20H,13H2,1-2H3
InChIKeyUFCBIXGUBFIESH-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.28
LogP ≤ 56.14
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-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396021
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
CID 63542887
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 63544447
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-(2-chlorobutyl)naphthalene
CID 21490588
(2R)-2-(3,5-dimethylbenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 152927678

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene?
The IUPAC name of 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene (CID 63543067) is 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene is Cc1cc(C)cc(C(Br)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene?
The InChIKey is UFCBIXGUBFIESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br/c1-14-9-15(2)11-19(10-14)20(21)13-16-7-8-17-5-3-4-6-18(17)12-16/h3-12,20H,13H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene?
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene has a molecular weight of 339.28 g/mol, XLogP of 6.14, 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-(3,5-dimethylphenyl)ethyl]naphthalene is sourced from PubChem (CID 63543067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).