1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene

C19H17BrO3 — CID 22728210

IUPAC1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
SMILESCOc1ccc(Br)c(COc2cccc3c(OC)cccc23)c1
InChIInChI=1S/C19H17BrO3/c1-21-14-9-10-17(20)13(11-14)12-23-19-8-4-5-15-16(19)6-3-7-18(15)22-2/h3-11H,12H2,1-2H3
InChIKeyDRDLFLQTIISWDF-UHFFFAOYSA-N
MW373.25 g/mol
LogP5.20
Rot. Bonds5

About 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene

1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene (PubChem CID 22728210) has the molecular formula C19H17BrO3 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
PubChem CID22728210
Molecular FormulaC19H17BrO3
Molecular Weight373.25 g/mol
Exact Mass372.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
SMILESCOc1ccc(Br)c(COc2cccc3c(OC)cccc23)c1
InChIInChI=1S/C19H17BrO3/c1-21-14-9-10-17(20)13(11-14)12-23-19-8-4-5-15-16(19)6-3-7-18(15)22-2/h3-11H,12H2,1-2H3
InChIKeyDRDLFLQTIISWDF-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
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1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
CID 20721268
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene (CID 22728210) is 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene is COc1ccc(Br)c(COc2cccc3c(OC)cccc23)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene?
The InChIKey is DRDLFLQTIISWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO3/c1-21-14-9-10-17(20)13(11-14)12-23-19-8-4-5-15-16(19)6-3-7-18(15)22-2/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene?
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene has a molecular weight of 373.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene is sourced from PubChem (CID 22728210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).