(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol

C15H21FO2 — CID 114191389

IUPAC(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCC2CCCC2)c(F)c1
InChIInChI=1S/C15H21FO2/c1-11(17)13-6-7-15(14(16)10-13)18-9-8-12-4-2-3-5-12/h6-7,10-12,17H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyPFTVFIJFYDKQIU-NSHDSACASA-N
MW252.33 g/mol
LogP3.84
Rot. Bonds5

About (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol

(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol (PubChem CID 114191389) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
PubChem CID114191389
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCC2CCCC2)c(F)c1
InChIInChI=1S/C15H21FO2/c1-11(17)13-6-7-15(14(16)10-13)18-9-8-12-4-2-3-5-12/h6-7,10-12,17H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyPFTVFIJFYDKQIU-NSHDSACASA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
6-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712998
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol (CID 114191389) is (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(OCCC2CCCC2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol?
The InChIKey is PFTVFIJFYDKQIU-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FO2/c1-11(17)13-6-7-15(14(16)10-13)18-9-8-12-4-2-3-5-12/h6-7,10-12,17H,2-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol?
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 114191389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).