1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene

C17H19BrO2 — CID 107666228

IUPAC1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
SMILESCCc1ccc(Oc2ccc(CBr)c(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-4-13-5-8-16(17(10-13)19-3)20-15-7-6-14(11-18)12(2)9-15/h5-10H,4,11H2,1-3H3
InChIKeyABRQJPJXNBXFTN-UHFFFAOYSA-N
MW335.24 g/mol
LogP5.25
Rot. Bonds5

About 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene

1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene (PubChem CID 107666228) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
PubChem CID107666228
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
SMILESCCc1ccc(Oc2ccc(CBr)c(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO2/c1-4-13-5-8-16(17(10-13)19-3)20-15-7-6-14(11-18)12(2)9-15/h5-10H,4,11H2,1-3H3
InChIKeyABRQJPJXNBXFTN-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 55.25
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-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
CID 107089149
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
CID 107668887
1-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
CID 107665209
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene?
The IUPAC name of 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene (CID 107666228) is 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene is CCc1ccc(Oc2ccc(CBr)c(C)c2)c(OC)c1.
What is the InChIKey of 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene?
The InChIKey is ABRQJPJXNBXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-4-13-5-8-16(17(10-13)19-3)20-15-7-6-14(11-18)12(2)9-15/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene?
1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene has a molecular weight of 335.24 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene is sourced from PubChem (CID 107666228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).