1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene

C19H16Br2 — CID 79590884

IUPAC1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(C)c1
InChIInChI=1S/C19H16Br2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3
InChIKeyKVLGCESGTZASSY-UHFFFAOYSA-N
MW404.15 g/mol
LogP6.70
Rot. Bonds2

About 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene

1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene (PubChem CID 79590884) has the molecular formula C19H16Br2 and a molecular weight of 404.15 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
PubChem CID79590884
Molecular FormulaC19H16Br2
Molecular Weight404.15 g/mol
Exact Mass401.96
IUPAC Name1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(C)c1
InChIInChI=1S/C19H16Br2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3
InChIKeyKVLGCESGTZASSY-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.15
LogP ≤ 56.70
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-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
CID 79590900
3-[bromo-(2,4-dimethylphenyl)methyl]-1-benzothiophene
CID 63437623
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863173
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
CID 107980963
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
(4-bromonaphthalen-1-yl)-(3,5-dimethylphenyl)methanamine
CID 79589901

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene (CID 79590884) is 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene is Cc1ccc(C(Br)c2ccc(Br)c3ccccc23)c(C)c1.
What is the InChIKey of 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The InChIKey is KVLGCESGTZASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11,19H,1-2H3.
What are the key properties of 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene has a molecular weight of 404.15 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 79590884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).