1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene

C15H20BrFO — CID 79701830

IUPAC1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
SMILESCCC1CCCC(OCc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H20BrFO/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3
InChIKeyCHTMKYRYZNSUFP-UHFFFAOYSA-N
MW315.23 g/mol
LogP5.07
Rot. Bonds4

About 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene

1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene (PubChem CID 79701830) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
PubChem CID79701830
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
SMILESCCC1CCCC(OCc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H20BrFO/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3
InChIKeyCHTMKYRYZNSUFP-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.23
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79702210
5-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarbothioamide
CID 107879915
3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
CID 79702337
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
3-[3-fluoro-5-[(3-methylcyclohexyl)oxymethyl]phenyl]prop-2-yn-1-ol
CID 79710418
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351
1-bromo-3-fluoro-5-(heptoxymethyl)benzene
CID 79701684

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene (CID 79701830) is 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene is CCC1CCCC(OCc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene?
The InChIKey is CHTMKYRYZNSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-2-11-4-3-5-15(8-11)18-10-12-6-13(16)9-14(17)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3.
What are the key properties of 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene?
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene has a molecular weight of 315.23 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene is sourced from PubChem (CID 79701830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).