2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene

C20H29FO — CID 134559559

IUPAC2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
SMILESCCC1CCCCC1C(C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H29FO/c1-3-16-6-4-5-7-18(16)14(2)17-10-11-19(21)20(12-17)22-13-15-8-9-15/h10-12,14-16,18H,3-9,13H2,1-2H3
InChIKeyJPQRXOGRNZNYJC-UHFFFAOYSA-N
MW304.45 g/mol
LogP5.93
Rot. Bonds6

About 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene

2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene (PubChem CID 134559559) has the molecular formula C20H29FO and a molecular weight of 304.45 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
PubChem CID134559559
Molecular FormulaC20H29FO
Molecular Weight304.45 g/mol
Exact Mass304.22
IUPAC Name2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
SMILESCCC1CCCCC1C(C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H29FO/c1-3-16-6-4-5-7-18(16)14(2)17-10-11-19(21)20(12-17)22-13-15-8-9-15/h10-12,14-16,18H,3-9,13H2,1-2H3
InChIKeyJPQRXOGRNZNYJC-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol
CID 172583870
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
CID 134553642
4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
CID 167358601
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
CID 158673497

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene (CID 134559559) is 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene is CCC1CCCCC1C(C)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene?
The InChIKey is JPQRXOGRNZNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FO/c1-3-16-6-4-5-7-18(16)14(2)17-10-11-19(21)20(12-17)22-13-15-8-9-15/h10-12,14-16,18H,3-9,13H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene?
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene has a molecular weight of 304.45 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene is sourced from PubChem (CID 134559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).