4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene

C16H23BrO2 — CID 64747736

IUPAC4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
SMILESCCOc1cc(CBr)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H23BrO2/c1-3-18-16-10-13(11-17)6-9-15(16)19-14-7-4-12(2)5-8-14/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyMYJSTCUSSIXSHB-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.94
Rot. Bonds5

About 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene

4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene (PubChem CID 64747736) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
PubChem CID64747736
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
SMILESCCOc1cc(CBr)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H23BrO2/c1-3-18-16-10-13(11-17)6-9-15(16)19-14-7-4-12(2)5-8-14/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyMYJSTCUSSIXSHB-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-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
3-[4-(bromomethyl)-2-ethoxyphenoxy]oxolane
CID 63557577
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
2-[3-[4-(bromomethyl)-2-ethoxyphenoxy]propyl]oxolane
CID 65163140
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene (CID 64747736) is 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene is CCOc1cc(CBr)ccc1OC1CCC(C)CC1.
What is the InChIKey of 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene?
The InChIKey is MYJSTCUSSIXSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-3-18-16-10-13(11-17)6-9-15(16)19-14-7-4-12(2)5-8-14/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene?
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene 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 4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 64747736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).