2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol

C14H15FO2S — CID 117246264

IUPAC2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
SMILESOCC(COc1cccc(F)c1)Cc1cccs1
InChIInChI=1S/C14H15FO2S/c15-12-3-1-4-13(8-12)17-10-11(9-16)7-14-5-2-6-18-14/h1-6,8,11,16H,7,9-10H2
InChIKeyLLKVKHZMANBRHW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.12
Rot. Bonds6

About 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol

2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol (PubChem CID 117246264) has the molecular formula C14H15FO2S and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
PubChem CID117246264
Molecular FormulaC14H15FO2S
Molecular Weight266.34 g/mol
Exact Mass266.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
SMILESOCC(COc1cccc(F)c1)Cc1cccs1
InChIInChI=1S/C14H15FO2S/c15-12-3-1-4-13(8-12)17-10-11(9-16)7-14-5-2-6-18-14/h1-6,8,11,16H,7,9-10H2
InChIKeyLLKVKHZMANBRHW-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
CID 86904818
3-(2-amino-3-thiophen-2-ylpropoxy)phenol
CID 117246145
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
CID 117240583
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
3-(thiophen-2-ylmethoxy)phenol
CID 43143563

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol (CID 117246264) is 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol is OCC(COc1cccc(F)c1)Cc1cccs1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is LLKVKHZMANBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2S/c15-12-3-1-4-13(8-12)17-10-11(9-16)7-14-5-2-6-18-14/h1-6,8,11,16H,7,9-10H2.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol?
2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 117246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).