4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene

C20H31FO — CID 139708741

IUPAC4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C20H31FO/c1-4-5-6-16-7-10-18(11-8-16)15(2)13-17-9-12-20(22-3)19(21)14-17/h9,12,14-16,18H,4-8,10-11,13H2,1-3H3
InChIKeyWBWYZFUYRXFNMG-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.01
Rot. Bonds7

About 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene

4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene (PubChem CID 139708741) has the molecular formula C20H31FO and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
PubChem CID139708741
Molecular FormulaC20H31FO
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Name4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
SMILESCCCCC1CCC(C(C)Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C20H31FO/c1-4-5-6-16-7-10-18(11-8-16)15(2)13-17-9-12-20(22-3)19(21)14-17/h9,12,14-16,18H,4-8,10-11,13H2,1-3H3
InChIKeyWBWYZFUYRXFNMG-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
(3,4,5-trifluorophenyl) 4-[2-(4-butylcyclohexyl)propyl]-2-fluorobenzoate
CID 139708604
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
(4-cyano-3-fluorophenyl) 4-[2-(4-butylcyclohexyl)propyl]-2-fluorobenzoate
CID 139708811
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene (CID 139708741) is 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene is CCCCC1CCC(C(C)Cc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene?
The InChIKey is WBWYZFUYRXFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FO/c1-4-5-6-16-7-10-18(11-8-16)15(2)13-17-9-12-20(22-3)19(21)14-17/h9,12,14-16,18H,4-8,10-11,13H2,1-3H3.
What are the key properties of 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene?
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene has a molecular weight of 306.47 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 139708741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).