2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene

C14H18BrFO — CID 63457702

IUPAC2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(OCc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H18BrFO/c1-10-2-6-13(7-3-10)17-9-11-4-5-12(16)8-14(11)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyWRHMMJGUVNIISX-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.68
Rot. Bonds3

About 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene

2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene (PubChem CID 63457702) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
PubChem CID63457702
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
SMILESCC1CCC(OCc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H18BrFO/c1-10-2-6-13(7-3-10)17-9-11-4-5-12(16)8-14(11)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3
InChIKeyWRHMMJGUVNIISX-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
CID 142370670
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
[2-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
2-bromo-1-(3,3-dimethylbutoxymethyl)-4-fluorobenzene
CID 66225152
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene?
The IUPAC name of 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene (CID 63457702) is 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene?
The canonical SMILES for 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene is CC1CCC(OCc2ccc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene?
The InChIKey is WRHMMJGUVNIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-10-2-6-13(7-3-10)17-9-11-4-5-12(16)8-14(11)15/h4-5,8,10,13H,2-3,6-7,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene?
2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene has a molecular weight of 301.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 63457702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).