1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene

C13H16BrFO2 — CID 65202671

IUPAC1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
SMILESCOC1CCCC(Oc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFO2/c1-16-9-3-2-4-10(7-9)17-11-5-6-12(14)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeySQOXKXPYMLJOQO-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.92
Rot. Bonds3

About 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene

1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene (PubChem CID 65202671) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
PubChem CID65202671
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
SMILESCOC1CCCC(Oc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C13H16BrFO2/c1-16-9-3-2-4-10(7-9)17-11-5-6-12(14)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeySQOXKXPYMLJOQO-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
potassium trifluoro-[4-(3-methoxycyclohexyl)oxy-2-methylphenyl]boranuide
CID 83137054
3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one
CID 66368302
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
5-(3-methoxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684644
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
1-bromo-2-chloro-4-cyclohexyloxybenzene
CID 130631642
4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
CID 118242707

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene?
The IUPAC name of 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene (CID 65202671) is 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene is COC1CCCC(Oc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene?
The InChIKey is SQOXKXPYMLJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c1-16-9-3-2-4-10(7-9)17-11-5-6-12(14)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene?
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene has a molecular weight of 303.17 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene is sourced from PubChem (CID 65202671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).