(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol

C15H14F2O2 — CID 107169699

IUPAC(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@H](C)O)cc2F)cc1F
InChIInChI=1S/C15H14F2O2/c1-9-3-5-12(8-13(9)16)19-15-6-4-11(10(2)18)7-14(15)17/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyVXSRVABDPXOSED-JTQLQIEISA-N
MW264.27 g/mol
LogP4.12
Rot. Bonds3

About (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol

(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol (PubChem CID 107169699) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
PubChem CID107169699
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@H](C)O)cc2F)cc1F
InChIInChI=1S/C15H14F2O2/c1-9-3-5-12(8-13(9)16)19-15-6-4-11(10(2)18)7-14(15)17/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyVXSRVABDPXOSED-JTQLQIEISA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78941481
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol (CID 107169699) is (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol is Cc1ccc(Oc2ccc([C@H](C)O)cc2F)cc1F.
What is the InChIKey of (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol?
The InChIKey is VXSRVABDPXOSED-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F2O2/c1-9-3-5-12(8-13(9)16)19-15-6-4-11(10(2)18)7-14(15)17/h3-8,10,18H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol?
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol has a molecular weight of 264.27 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 107169699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).