(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol

C13H13FO2S — CID 107720186

IUPAC(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cccs2)cc1F
InChIInChI=1S/C13H13FO2S/c1-9(15)12-5-4-10(7-13(12)14)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyLZOSWDWJBLYCPB-SECBINFHSA-N
MW252.31 g/mol
LogP3.52
Rot. Bonds4

About (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol

(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol (PubChem CID 107720186) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
PubChem CID107720186
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cccs2)cc1F
InChIInChI=1S/C13H13FO2S/c1-9(15)12-5-4-10(7-13(12)14)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1
InChIKeyLZOSWDWJBLYCPB-SECBINFHSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
2-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58343823

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol (CID 107720186) is (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(OCc2cccs2)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is LZOSWDWJBLYCPB-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-9(15)12-5-4-10(7-13(12)14)16-8-11-3-2-6-17-11/h2-7,9,15H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol?
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 107720186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).