1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol

C13H17FO2 — CID 65213847

IUPAC1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
SMILESOC1(COc2cccc(F)c2)CCCCC1
InChIInChI=1S/C13H17FO2/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9,15H,1-3,7-8,10H2
InChIKeyRKTSEFRHMWBRDL-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.90
Rot. Bonds3

About 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol

1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol (PubChem CID 65213847) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
PubChem CID65213847
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
SMILESOC1(COc2cccc(F)c2)CCCCC1
InChIInChI=1S/C13H17FO2/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9,15H,1-3,7-8,10H2
InChIKeyRKTSEFRHMWBRDL-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol (CID 65213847) is 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol is OC1(COc2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol?
The InChIKey is RKTSEFRHMWBRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-11-5-4-6-12(9-11)16-10-13(15)7-2-1-3-8-13/h4-6,9,15H,1-3,7-8,10H2.
What are the key properties of 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol?
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).