1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol

C14H19FO3 — CID 113389597

IUPAC1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCC(O)c1ccc(OCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C14H19FO3/c1-10(16)11-4-5-13(12(15)8-11)18-9-14(17)6-2-3-7-14/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3
InChIKeyOTGLYLITNAAHPE-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.56
Rot. Bonds4

About 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol

1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol (PubChem CID 113389597) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
PubChem CID113389597
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCC(O)c1ccc(OCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C14H19FO3/c1-10(16)11-4-5-13(12(15)8-11)18-9-14(17)6-2-3-7-14/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3
InChIKeyOTGLYLITNAAHPE-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 113389661
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65214061
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol (CID 113389597) is 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol is CC(O)c1ccc(OCC2(O)CCCC2)c(F)c1.
What is the InChIKey of 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is OTGLYLITNAAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10(16)11-4-5-13(12(15)8-11)18-9-14(17)6-2-3-7-14/h4-5,8,10,16-17H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol?
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113389597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).