2-bromo-3-methoxynaphthalene

C11H9BrO — CID 13351910

IUPAC2-bromo-3-methoxynaphthalene
SMILESCOc1cc2ccccc2cc1Br
InChIInChI=1S/C11H9BrO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3
InChIKeyVFAPZPJQVMNTEX-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.61
Rot. Bonds1

About 2-bromo-3-methoxynaphthalene

2-bromo-3-methoxynaphthalene (PubChem CID 13351910) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-bromo-3-methoxynaphthalene.

Molecular Properties

Compound Name2-bromo-3-methoxynaphthalene
PubChem CID13351910
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name2-bromo-3-methoxynaphthalene
SMILESCOc1cc2ccccc2cc1Br
InChIInChI=1S/C11H9BrO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3
InChIKeyVFAPZPJQVMNTEX-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxynaphthalene
CID 7119
2-Bromo-6-methoxynaphthalene
CID 78786
2-Naphthalenol, 3-bromo-
CID 45943
1-Bromo-2-methoxynaphthalene
CID 72860
1-Bromo-4-methoxynaphthalene
CID 138521
3-Bromo-4-methoxybiphenyl
CID 262267
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
4-Bromo-4'-methoxybiphenyl
CID 4034005
2-Bromo-4-methylanisole
CID 89143
6-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 807327
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxynaphthalene?
The IUPAC name of 2-bromo-3-methoxynaphthalene (CID 13351910) is 2-bromo-3-methoxynaphthalene.
What is the SMILES notation for 2-bromo-3-methoxynaphthalene?
The canonical SMILES for 2-bromo-3-methoxynaphthalene is COc1cc2ccccc2cc1Br.
What is the InChIKey of 2-bromo-3-methoxynaphthalene?
The InChIKey is VFAPZPJQVMNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7H,1H3.
What are the key properties of 2-bromo-3-methoxynaphthalene?
2-bromo-3-methoxynaphthalene has a molecular weight of 237.10 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxynaphthalene is sourced from PubChem (CID 13351910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).