1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene

C19H17BrO — CID 20721268

IUPAC1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
SMILESCc1ccc(Br)c(COc2cccc3c(C)cccc23)c1
InChIInChI=1S/C19H17BrO/c1-13-9-10-18(20)15(11-13)12-21-19-8-4-6-16-14(2)5-3-7-17(16)19/h3-11H,12H2,1-2H3
InChIKeyGJYOAJNQIDREHV-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.80
Rot. Bonds3

About 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene

1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene (PubChem CID 20721268) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene.

Molecular Properties

Compound Name1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
PubChem CID20721268
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
SMILESCc1ccc(Br)c(COc2cccc3c(C)cccc23)c1
InChIInChI=1S/C19H17BrO/c1-13-9-10-18(20)15(11-13)12-21-19-8-4-6-16-14(2)5-3-7-17(16)19/h3-11H,12H2,1-2H3
InChIKeyGJYOAJNQIDREHV-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene?
The IUPAC name of 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene (CID 20721268) is 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene.
What is the SMILES notation for 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene?
The canonical SMILES for 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene is Cc1ccc(Br)c(COc2cccc3c(C)cccc23)c1.
What is the InChIKey of 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene?
The InChIKey is GJYOAJNQIDREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-9-10-18(20)15(11-13)12-21-19-8-4-6-16-14(2)5-3-7-17(16)19/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene?
1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene has a molecular weight of 341.25 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene is sourced from PubChem (CID 20721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).