1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene

C15H21FO — CID 176856906

IUPAC1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene
SMILESCC(C)[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1
InChIInChI=1S/C15H21FO/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h7-11,14-15H,3-6H2,1-2H3/t14-,15+/m0/s1
InChIKeyOSMPJNNPKNZPKR-LSDHHAIUSA-N
MW236.33 g/mol
LogP4.42
Rot. Bonds3

About 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene

1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene (PubChem CID 176856906) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene.

Molecular Properties

Compound Name1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene
PubChem CID176856906
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene
SMILESCC(C)[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1
InChIInChI=1S/C15H21FO/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h7-11,14-15H,3-6H2,1-2H3/t14-,15+/m0/s1
InChIKeyOSMPJNNPKNZPKR-LSDHHAIUSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenoxy-4-propan-2-ylpyrrolidine
CID 130439582
cis-(1S,2R)-2-[4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]phenoxy]cyclohexan-1-ol
CID 124744406
3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
CID 43104678
[(3S,7S,8S,9S)-7-(4-fluorophenoxy)-9-methyl-8-(2-methylpropoxy)-2-oxooxonan-3-yl]azanium chloride
CID 162265349
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
(3S,4S)-4-(4-fluorophenoxy)piperidin-3-ol
CID 54555250
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
CID 136740321
CID 136740321
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
CID 107720122
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene?
The IUPAC name of 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene (CID 176856906) is 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene.
What is the SMILES notation for 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene?
The canonical SMILES for 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene is CC(C)[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene?
The InChIKey is OSMPJNNPKNZPKR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21FO/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h7-11,14-15H,3-6H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene?
1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene has a molecular weight of 236.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene is sourced from PubChem (CID 176856906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).