4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene

C14H19BrO — CID 107283955

IUPAC4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
SMILESCc1ccc(Br)cc1OC1CCC(C)CC1
InChIInChI=1S/C14H19BrO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySSGZAJXHFNINLX-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.72
Rot. Bonds2

About 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene

4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene (PubChem CID 107283955) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
PubChem CID107283955
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
SMILESCc1ccc(Br)cc1OC1CCC(C)CC1
InChIInChI=1S/C14H19BrO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySSGZAJXHFNINLX-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene (CID 107283955) is 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene is Cc1ccc(Br)cc1OC1CCC(C)CC1.
What is the InChIKey of 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene?
The InChIKey is SSGZAJXHFNINLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene?
4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 107283955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).