(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol

C10H13FO3 — CID 129408269

IUPAC(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)Oc1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c1-13-7-10(6-12)14-9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1
InChIKeyINIITJYOOWWWNT-JTQLQIEISA-N
MW200.21 g/mol
LogP1.21
Rot. Bonds5

About (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol

(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol (PubChem CID 129408269) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
PubChem CID129408269
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)Oc1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c1-13-7-10(6-12)14-9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1
InChIKeyINIITJYOOWWWNT-JTQLQIEISA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol (CID 129408269) is (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol is COC[C@H](CO)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol?
The InChIKey is INIITJYOOWWWNT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FO3/c1-13-7-10(6-12)14-9-4-2-8(11)3-5-9/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol?
(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol has a molecular weight of 200.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol is sourced from PubChem (CID 129408269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).