2-(phenylmethoxymethyl)thiophene

C12H12OS — CID 15355060

IUPAC2-(phenylmethoxymethyl)thiophene
SMILESc1ccc(COCc2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8H,9-10H2
InChIKeyYFXDUXSCNGJSKQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.46
Rot. Bonds4

About 2-(phenylmethoxymethyl)thiophene

2-(phenylmethoxymethyl)thiophene (PubChem CID 15355060) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)thiophene.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)thiophene
PubChem CID15355060
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-(phenylmethoxymethyl)thiophene
SMILESc1ccc(COCc2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8H,9-10H2
InChIKeyYFXDUXSCNGJSKQ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)thiophene?
The IUPAC name of 2-(phenylmethoxymethyl)thiophene (CID 15355060) is 2-(phenylmethoxymethyl)thiophene.
What is the SMILES notation for 2-(phenylmethoxymethyl)thiophene?
The canonical SMILES for 2-(phenylmethoxymethyl)thiophene is c1ccc(COCc2cccs2)cc1.
What is the InChIKey of 2-(phenylmethoxymethyl)thiophene?
The InChIKey is YFXDUXSCNGJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8H,9-10H2.
What are the key properties of 2-(phenylmethoxymethyl)thiophene?
2-(phenylmethoxymethyl)thiophene has a molecular weight of 204.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)thiophene is sourced from PubChem (CID 15355060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).