2-(3-bromophenyl)-3-methoxynaphthalene

C17H13BrO — CID 142353685

IUPAC2-(3-bromophenyl)-3-methoxynaphthalene
SMILESCOc1cc2ccccc2cc1-c1cccc(Br)c1
InChIInChI=1S/C17H13BrO/c1-19-17-11-13-6-3-2-5-12(13)10-16(17)14-7-4-8-15(18)9-14/h2-11H,1H3
InChIKeyCFYNBJMHOMKGJQ-UHFFFAOYSA-N
MW313.19 g/mol
LogP5.28
Rot. Bonds2

About 2-(3-bromophenyl)-3-methoxynaphthalene

2-(3-bromophenyl)-3-methoxynaphthalene (PubChem CID 142353685) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methoxynaphthalene.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methoxynaphthalene
PubChem CID142353685
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name2-(3-bromophenyl)-3-methoxynaphthalene
SMILESCOc1cc2ccccc2cc1-c1cccc(Br)c1
InChIInChI=1S/C17H13BrO/c1-19-17-11-13-6-3-2-5-12(13)10-16(17)14-7-4-8-15(18)9-14/h2-11H,1H3
InChIKeyCFYNBJMHOMKGJQ-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.19
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methoxynaphthalene?
The IUPAC name of 2-(3-bromophenyl)-3-methoxynaphthalene (CID 142353685) is 2-(3-bromophenyl)-3-methoxynaphthalene.
What is the SMILES notation for 2-(3-bromophenyl)-3-methoxynaphthalene?
The canonical SMILES for 2-(3-bromophenyl)-3-methoxynaphthalene is COc1cc2ccccc2cc1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methoxynaphthalene?
The InChIKey is CFYNBJMHOMKGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c1-19-17-11-13-6-3-2-5-12(13)10-16(17)14-7-4-8-15(18)9-14/h2-11H,1H3.
What are the key properties of 2-(3-bromophenyl)-3-methoxynaphthalene?
2-(3-bromophenyl)-3-methoxynaphthalene has a molecular weight of 313.19 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methoxynaphthalene is sourced from PubChem (CID 142353685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).