4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene

C16H23BrO2 — CID 64730795

IUPAC4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C16H23BrO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3
InChIKeyYSENXGFCHWWDIT-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.80
Rot. Bonds4

About 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene

4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene (PubChem CID 64730795) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
PubChem CID64730795
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C16H23BrO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3
InChIKeyYSENXGFCHWWDIT-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
2-[3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249704
[5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]methanol
CID 64735922
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518
3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 20628476
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
5-[(3,5-dimethylcyclohexyl)oxymethyl]-2-methoxybenzenecarbothioamide
CID 65344197
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene (CID 64730795) is 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene is COc1ccc(Br)cc1COC1CC(C)CC(C)C1.
What is the InChIKey of 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene?
The InChIKey is YSENXGFCHWWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-11-6-12(2)8-15(7-11)19-10-13-9-14(17)4-5-16(13)18-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3.
What are the key properties of 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene?
4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene has a molecular weight of 327.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene is sourced from PubChem (CID 64730795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).