1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene

C17H25FO2 — CID 144809384

IUPAC1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene
SMILESCOc1ccc(C2CCC(OCC(C)C)C(F)C2)cc1
InChIInChI=1S/C17H25FO2/c1-12(2)11-20-17-9-6-14(10-16(17)18)13-4-7-15(19-3)8-5-13/h4-5,7-8,12,14,16-17H,6,9-11H2,1-3H3
InChIKeyXPRIUOAJEROYMW-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.34
Rot. Bonds5

About 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene

1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene (PubChem CID 144809384) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene
PubChem CID144809384
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene
SMILESCOc1ccc(C2CCC(OCC(C)C)C(F)C2)cc1
InChIInChI=1S/C17H25FO2/c1-12(2)11-20-17-9-6-14(10-16(17)18)13-4-7-15(19-3)8-5-13/h4-5,7-8,12,14,16-17H,6,9-11H2,1-3H3
InChIKeyXPRIUOAJEROYMW-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
2-ethenyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384709
1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene
CID 144809436
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
CID 138517239
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
2-(4-methoxyphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385090
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
2-hexyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384918
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene?
The IUPAC name of 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene (CID 144809384) is 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene.
What is the SMILES notation for 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene?
The canonical SMILES for 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene is COc1ccc(C2CCC(OCC(C)C)C(F)C2)cc1.
What is the InChIKey of 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene?
The InChIKey is XPRIUOAJEROYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-12(2)11-20-17-9-6-14(10-16(17)18)13-4-7-15(19-3)8-5-13/h4-5,7-8,12,14,16-17H,6,9-11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene?
1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene has a molecular weight of 280.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene is sourced from PubChem (CID 144809384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).