1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene

C19H16Br2 — CID 81476246

IUPAC1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
SMILESCc1ccc(C(Br)Cc2cccc3ccccc23)cc1Br
InChIInChI=1S/C19H16Br2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3
InChIKeyAJVFFJSIEKVNQO-UHFFFAOYSA-N
MW404.15 g/mol
LogP6.59
Rot. Bonds3

About 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene

1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene (PubChem CID 81476246) has the molecular formula C19H16Br2 and a molecular weight of 404.15 g/mol. Its IUPAC name is 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
PubChem CID81476246
Molecular FormulaC19H16Br2
Molecular Weight404.15 g/mol
Exact Mass401.96
IUPAC Name1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
SMILESCc1ccc(C(Br)Cc2cccc3ccccc23)cc1Br
InChIInChI=1S/C19H16Br2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3
InChIKeyAJVFFJSIEKVNQO-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.15
LogP ≤ 56.59
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-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
2-bromo-4-[1-bromo-2-(2-nitrophenyl)ethyl]-1-methylbenzene
CID 81488609
1-[2-bromo-2-(2-bromo-5-methylphenyl)ethyl]naphthalene
CID 81116817
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
CID 63544130
5-(1-bromo-2-naphthalen-1-ylethyl)-2,3-dimethylthiophene
CID 65238268
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
CID 114375566
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene (CID 81476246) is 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene is Cc1ccc(C(Br)Cc2cccc3ccccc23)cc1Br.
What is the InChIKey of 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene?
The InChIKey is AJVFFJSIEKVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2/c1-13-9-10-16(12-18(13)20)19(21)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,19H,11H2,1H3.
What are the key properties of 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene?
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene has a molecular weight of 404.15 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 81476246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).