1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene

C16H23BrO2 — CID 64747945

IUPAC1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
SMILESCCC1CCC(Oc2cc(OC)ccc2CBr)CC1
InChIInChI=1S/C16H23BrO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyYDWNAYCOLHGSIM-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.94
Rot. Bonds5

About 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene

1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene (PubChem CID 64747945) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
PubChem CID64747945
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
SMILESCCC1CCC(Oc2cc(OC)ccc2CBr)CC1
InChIInChI=1S/C16H23BrO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyYDWNAYCOLHGSIM-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 ≤ 500327.26
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-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
CID 61267808
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
[2-(3,4-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64739585
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
5-bromo-1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-3-methylbenzene
CID 112621406
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
4-(bromomethyl)-3-cyclopropyloxybenzoic acid
CID 122501354

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene (CID 64747945) is 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene is CCC1CCC(Oc2cc(OC)ccc2CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene?
The InChIKey is YDWNAYCOLHGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-3-12-4-7-14(8-5-12)19-16-10-15(18-2)9-6-13(16)11-17/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene?
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene has a molecular weight of 327.26 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-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene is sourced from PubChem (CID 64747945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).