(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol

C16H17FO2 — CID 78941434

IUPAC(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
SMILESCCc1cccc(Oc2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C16H17FO2/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(11(2)18)10-15(16)17/h4-11,18H,3H2,1-2H3/t11-/m0/s1
InChIKeyRDGKCIVOCAEJEB-NSHDSACASA-N
MW260.31 g/mol
LogP4.23
Rot. Bonds4

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

(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol (PubChem CID 78941434) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
PubChem CID78941434
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
SMILESCCc1cccc(Oc2ccc([C@H](C)O)cc2F)c1
InChIInChI=1S/C16H17FO2/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(11(2)18)10-15(16)17/h4-11,18H,3H2,1-2H3/t11-/m0/s1
InChIKeyRDGKCIVOCAEJEB-NSHDSACASA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
CID 62336899
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55182879
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol (CID 78941434) is (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol is CCc1cccc(Oc2ccc([C@H](C)O)cc2F)c1.
What is the InChIKey of (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is RDGKCIVOCAEJEB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17FO2/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(11(2)18)10-15(16)17/h4-11,18H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol?
(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol has a molecular weight of 260.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78941434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).