4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene

C16H23BrO2 — CID 118986735

IUPAC4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Br)cc1OC1CCCCC1
InChIInChI=1S/C16H23BrO2/c1-16(2,3)19-14-10-9-12(17)11-15(14)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyWVKNHUOHXVDQPJ-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.34
Rot. Bonds3

About 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene

4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 118986735) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID118986735
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Br)cc1OC1CCCCC1
InChIInChI=1S/C16H23BrO2/c1-16(2,3)19-14-10-9-12(17)11-15(14)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyWVKNHUOHXVDQPJ-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene (CID 118986735) is 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(Br)cc1OC1CCCCC1.
What is the InChIKey of 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is WVKNHUOHXVDQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-16(2,3)19-14-10-9-12(17)11-15(14)18-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene?
4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 327.26 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 118986735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).