1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene

C16H23BrO2 — CID 65326433

IUPAC1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
SMILESCCC1CCCC(OCc2cc(OC)ccc2Br)C1
InChIInChI=1S/C16H23BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(18-2)7-8-16(13)17/h7-8,10,12,15H,3-6,9,11H2,1-2H3
InChIKeyNRDLMGSXNNRBPK-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.94
Rot. Bonds5

About 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene

1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene (PubChem CID 65326433) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
PubChem CID65326433
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
SMILESCCC1CCCC(OCc2cc(OC)ccc2Br)C1
InChIInChI=1S/C16H23BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(18-2)7-8-16(13)17/h7-8,10,12,15H,3-6,9,11H2,1-2H3
InChIKeyNRDLMGSXNNRBPK-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

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Related Compounds

1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
CID 113369276
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
CID 169291898
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
2-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylcyclohexan-1-one
CID 65323404
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene (CID 65326433) is 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene is CCC1CCCC(OCc2cc(OC)ccc2Br)C1.
What is the InChIKey of 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene?
The InChIKey is NRDLMGSXNNRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-3-12-5-4-6-15(9-12)19-11-13-10-14(18-2)7-8-16(13)17/h7-8,10,12,15H,3-6,9,11H2,1-2H3.
What are the key properties of 1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene?
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-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-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 65326433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).