3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene

C14H15FOS — CID 70951315

IUPAC3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene
SMILESCOc1ccccc1-c1sc(C(C)C)cc1F
InChIInChI=1S/C14H15FOS/c1-9(2)13-8-11(15)14(17-13)10-6-4-5-7-12(10)16-3/h4-9H,1-3H3
InChIKeyBHSUSXVRZJMIRQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.69
Rot. Bonds3

About 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene

3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene (PubChem CID 70951315) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene.

Molecular Properties

Compound Name3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene
PubChem CID70951315
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene
SMILESCOc1ccccc1-c1sc(C(C)C)cc1F
InChIInChI=1S/C14H15FOS/c1-9(2)13-8-11(15)14(17-13)10-6-4-5-7-12(10)16-3/h4-9H,1-3H3
InChIKeyBHSUSXVRZJMIRQ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene?
The IUPAC name of 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene (CID 70951315) is 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene.
What is the SMILES notation for 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene?
The canonical SMILES for 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene is COc1ccccc1-c1sc(C(C)C)cc1F.
What is the InChIKey of 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene?
The InChIKey is BHSUSXVRZJMIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c1-9(2)13-8-11(15)14(17-13)10-6-4-5-7-12(10)16-3/h4-9H,1-3H3.
What are the key properties of 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene?
3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene has a molecular weight of 250.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methoxyphenyl)-5-propan-2-ylthiophene is sourced from PubChem (CID 70951315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).