1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol

C15H21FO3 — CID 65214061

IUPAC1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](O)c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C15H21FO3/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,17-18H,2-4,7-8,10H2,1H3/t11-/m1/s1
InChIKeyXNTKXKUHRCVZEM-LLVKDONJSA-N
MW268.33 g/mol
LogP2.95
Rot. Bonds4

About 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol

1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65214061) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65214061
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](O)c1ccc(F)cc1OCC1(O)CCCCC1
InChIInChI=1S/C15H21FO3/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,17-18H,2-4,7-8,10H2,1H3/t11-/m1/s1
InChIKeyXNTKXKUHRCVZEM-LLVKDONJSA-N
XLogP2.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclopentan-1-ol
CID 79004928
1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
CID 65213345
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol (CID 65214061) is 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol is C[C@@H](O)c1ccc(F)cc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is XNTKXKUHRCVZEM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FO3/c1-11(17)13-6-5-12(16)9-14(13)19-10-15(18)7-3-2-4-8-15/h5-6,9,11,17-18H,2-4,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65214061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).