3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene

C22H17Br — CID 174680926

IUPAC3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
SMILESCc1ccc2ccccc2c1-c1c(C)c(Br)cc2ccccc12
InChIInChI=1S/C22H17Br/c1-14-11-12-16-7-3-5-9-18(16)21(14)22-15(2)20(23)13-17-8-4-6-10-19(17)22/h3-13H,1-2H3
InChIKeySUZBARXAAZBEGR-UHFFFAOYSA-N
MW361.28 g/mol
LogP7.04
Rot. Bonds1

About 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene

3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene (PubChem CID 174680926) has the molecular formula C22H17Br and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
PubChem CID174680926
Molecular FormulaC22H17Br
Molecular Weight361.28 g/mol
Exact Mass360.05
IUPAC Name3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
SMILESCc1ccc2ccccc2c1-c1c(C)c(Br)cc2ccccc12
InChIInChI=1S/C22H17Br/c1-14-11-12-16-7-3-5-9-18(16)21(14)22-15(2)20(23)13-17-8-4-6-10-19(17)22/h3-13H,1-2H3
InChIKeySUZBARXAAZBEGR-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
3-bromo-2-methylnaphthalen-1-amine
CID 170568241
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
[1-(2,3-dimethylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]methyl-dimethyl-[[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]methyl]azanium
CID 59894446
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
1,2-dimethylnaphthalene;ethane
CID 90922397

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene?
The IUPAC name of 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene (CID 174680926) is 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene is Cc1ccc2ccccc2c1-c1c(C)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene?
The InChIKey is SUZBARXAAZBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br/c1-14-11-12-16-7-3-5-9-18(16)21(14)22-15(2)20(23)13-17-8-4-6-10-19(17)22/h3-13H,1-2H3.
What are the key properties of 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene?
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene has a molecular weight of 361.28 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 174680926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).