1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene

C16H17BrO2 — CID 107666254

IUPAC1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(Oc2ccccc2CBr)c(OC)c1
InChIInChI=1S/C16H17BrO2/c1-3-12-8-9-15(16(10-12)18-2)19-14-7-5-4-6-13(14)11-17/h4-10H,3,11H2,1-2H3
InChIKeyYFZWBVXGWBNQMM-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.94
Rot. Bonds5

About 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene

1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene (PubChem CID 107666254) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
PubChem CID107666254
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(Oc2ccccc2CBr)c(OC)c1
InChIInChI=1S/C16H17BrO2/c1-3-12-8-9-15(16(10-12)18-2)19-14-7-5-4-6-13(14)11-17/h4-10H,3,11H2,1-2H3
InChIKeyYFZWBVXGWBNQMM-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
CID 107666228
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
N-(4-ethyl-2-methoxyphenoxy)aniline
CID 141196312
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
1-(bromomethyl)-4-ethyl-2-(2-methoxyethoxy)benzene
CID 18941608
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene (CID 107666254) is 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene is CCc1ccc(Oc2ccccc2CBr)c(OC)c1.
What is the InChIKey of 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene?
The InChIKey is YFZWBVXGWBNQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-3-12-8-9-15(16(10-12)18-2)19-14-7-5-4-6-13(14)11-17/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene?
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene has a molecular weight of 321.21 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene is sourced from PubChem (CID 107666254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).