[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol

C14H15FO3S — CID 15728747

IUPAC[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol
SMILESCOC(OC)c1ccsc1C(O)c1ccccc1F
InChIInChI=1S/C14H15FO3S/c1-17-14(18-2)10-7-8-19-13(10)12(16)9-5-3-4-6-11(9)15/h3-8,12,14,16H,1-2H3
InChIKeyNCUHKTPTZNBPLZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.26
Rot. Bonds5

About [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol

[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol (PubChem CID 15728747) has the molecular formula C14H15FO3S and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol
PubChem CID15728747
Molecular FormulaC14H15FO3S
Molecular Weight282.34 g/mol
Exact Mass282.07
IUPAC Name[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol
SMILESCOC(OC)c1ccsc1C(O)c1ccccc1F
InChIInChI=1S/C14H15FO3S/c1-17-14(18-2)10-7-8-19-13(10)12(16)9-5-3-4-6-11(9)15/h3-8,12,14,16H,1-2H3
InChIKeyNCUHKTPTZNBPLZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol?
The IUPAC name of [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol (CID 15728747) is [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol.
What is the SMILES notation for [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol?
The canonical SMILES for [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol is COC(OC)c1ccsc1C(O)c1ccccc1F.
What is the InChIKey of [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol?
The InChIKey is NCUHKTPTZNBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3S/c1-17-14(18-2)10-7-8-19-13(10)12(16)9-5-3-4-6-11(9)15/h3-8,12,14,16H,1-2H3.
What are the key properties of [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol?
[3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol has a molecular weight of 282.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethoxymethyl)thiophen-2-yl]-(2-fluorophenyl)methanol is sourced from PubChem (CID 15728747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).