1-(3-bromo-5-methylphenyl)naphthalene

C17H13Br — CID 155180457

IUPAC1-(3-bromo-5-methylphenyl)naphthalene
SMILESCc1cc(Br)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C17H13Br/c1-12-9-14(11-15(18)10-12)17-8-4-6-13-5-2-3-7-16(13)17/h2-11H,1H3
InChIKeyRXIIFFOMLPIENH-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.58
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)naphthalene

1-(3-bromo-5-methylphenyl)naphthalene (PubChem CID 155180457) has the molecular formula C17H13Br and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)naphthalene.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)naphthalene
PubChem CID155180457
Molecular FormulaC17H13Br
Molecular Weight297.20 g/mol
Exact Mass296.02
IUPAC Name1-(3-bromo-5-methylphenyl)naphthalene
SMILESCc1cc(Br)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C17H13Br/c1-12-9-14(11-15(18)10-12)17-8-4-6-13-5-2-3-7-16(13)17/h2-11H,1H3
InChIKeyRXIIFFOMLPIENH-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
1-(3,5-dimethylphenyl)-6-methylnaphthalene
CID 140744317
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
2-methyl-4-naphthalen-1-ylaniline
CID 54912725
1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene
CID 70824609
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
2-naphthalen-1-ylanthracene
CID 2748705
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)naphthalene?
The IUPAC name of 1-(3-bromo-5-methylphenyl)naphthalene (CID 155180457) is 1-(3-bromo-5-methylphenyl)naphthalene.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)naphthalene?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)naphthalene is Cc1cc(Br)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)naphthalene?
The InChIKey is RXIIFFOMLPIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br/c1-12-9-14(11-15(18)10-12)17-8-4-6-13-5-2-3-7-16(13)17/h2-11H,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)naphthalene?
1-(3-bromo-5-methylphenyl)naphthalene has a molecular weight of 297.20 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)naphthalene is sourced from PubChem (CID 155180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).