1,3-bis(bromomethyl)-2-methylnaphthalene

C13H12Br2 — CID 12915336

IUPAC1,3-bis(bromomethyl)-2-methylnaphthalene
SMILESCc1c(CBr)cc2ccccc2c1CBr
InChIInChI=1S/C13H12Br2/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6H,7-8H2,1H3
InChIKeyYJMFXNYDMYOJLH-UHFFFAOYSA-N
MW328.05 g/mol
LogP4.94
Rot. Bonds2

About 1,3-bis(bromomethyl)-2-methylnaphthalene

1,3-bis(bromomethyl)-2-methylnaphthalene (PubChem CID 12915336) has the molecular formula C13H12Br2 and a molecular weight of 328.05 g/mol. Its IUPAC name is 1,3-bis(bromomethyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1,3-bis(bromomethyl)-2-methylnaphthalene
PubChem CID12915336
Molecular FormulaC13H12Br2
Molecular Weight328.05 g/mol
Exact Mass325.93
IUPAC Name1,3-bis(bromomethyl)-2-methylnaphthalene
SMILESCc1c(CBr)cc2ccccc2c1CBr
InChIInChI=1S/C13H12Br2/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6H,7-8H2,1H3
InChIKeyYJMFXNYDMYOJLH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.05
LogP ≤ 54.94
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

2,3-bis(bromomethyl)-1-chloronaphthalene
CID 12953659
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
CID 160912845
ethane;9-methylanthracene;naphthalene
CID 161226057
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
1,2,3-trioctylnaphthalene
CID 20513034
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275
lithium;hydride;9-methylanthracene
CID 174773747
barium(2+);bis(1,3-di(nonyl)naphthalene-2-sulfonate)
CID 101309966
calcium bis(1,3-dioctylnaphthalene-2-sulfonate)
CID 101325351
zinc bis(1,3-di(nonyl)naphthalene-2-sulfonate)
CID 101310013

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(bromomethyl)-2-methylnaphthalene?
The IUPAC name of 1,3-bis(bromomethyl)-2-methylnaphthalene (CID 12915336) is 1,3-bis(bromomethyl)-2-methylnaphthalene.
What is the SMILES notation for 1,3-bis(bromomethyl)-2-methylnaphthalene?
The canonical SMILES for 1,3-bis(bromomethyl)-2-methylnaphthalene is Cc1c(CBr)cc2ccccc2c1CBr.
What is the InChIKey of 1,3-bis(bromomethyl)-2-methylnaphthalene?
The InChIKey is YJMFXNYDMYOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6H,7-8H2,1H3.
What are the key properties of 1,3-bis(bromomethyl)-2-methylnaphthalene?
1,3-bis(bromomethyl)-2-methylnaphthalene has a molecular weight of 328.05 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(bromomethyl)-2-methylnaphthalene is sourced from PubChem (CID 12915336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).