2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene

C19H16Br2 — CID 115354342

IUPAC2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)c(C)c1
InChIInChI=1S/C19H16Br2/c1-12-3-8-18(13(2)9-12)19(21)16-5-4-15-11-17(20)7-6-14(15)10-16/h3-11,19H,1-2H3
InChIKeyYNOQRAVQQKQCMB-UHFFFAOYSA-N
MW404.15 g/mol
LogP6.70
Rot. Bonds2

About 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene

2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene (PubChem CID 115354342) has the molecular formula C19H16Br2 and a molecular weight of 404.15 g/mol. Its IUPAC name is 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
PubChem CID115354342
Molecular FormulaC19H16Br2
Molecular Weight404.15 g/mol
Exact Mass401.96
IUPAC Name2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)c(C)c1
InChIInChI=1S/C19H16Br2/c1-12-3-8-18(13(2)9-12)19(21)16-5-4-15-11-17(20)7-6-14(15)10-16/h3-11,19H,1-2H3
InChIKeyYNOQRAVQQKQCMB-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-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438910
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
1-[bromo-(3-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438319
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
2-[1-(2,4-dimethylphenyl)propyl]anthracene
CID 141153672
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The IUPAC name of 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene (CID 115354342) is 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The canonical SMILES for 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene is Cc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)c(C)c1.
What is the InChIKey of 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
The InChIKey is YNOQRAVQQKQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2/c1-12-3-8-18(13(2)9-12)19(21)16-5-4-15-11-17(20)7-6-14(15)10-16/h3-11,19H,1-2H3.
What are the key properties of 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene?
2-bromo-6-[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 2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 115354342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).