3-(methoxymethyl)-2-phenyl-1-benzothiophene

C16H14OS — CID 102186891

IUPAC3-(methoxymethyl)-2-phenyl-1-benzothiophene
SMILESCOCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C16H14OS/c1-17-11-14-13-9-5-6-10-15(13)18-16(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyNXUKPOCZSFLKSN-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.71
Rot. Bonds3

About 3-(methoxymethyl)-2-phenyl-1-benzothiophene

3-(methoxymethyl)-2-phenyl-1-benzothiophene (PubChem CID 102186891) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name3-(methoxymethyl)-2-phenyl-1-benzothiophene
PubChem CID102186891
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name3-(methoxymethyl)-2-phenyl-1-benzothiophene
SMILESCOCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C16H14OS/c1-17-11-14-13-9-5-6-10-15(13)18-16(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyNXUKPOCZSFLKSN-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-phenyl-1-benzothiophene?
The IUPAC name of 3-(methoxymethyl)-2-phenyl-1-benzothiophene (CID 102186891) is 3-(methoxymethyl)-2-phenyl-1-benzothiophene.
What is the SMILES notation for 3-(methoxymethyl)-2-phenyl-1-benzothiophene?
The canonical SMILES for 3-(methoxymethyl)-2-phenyl-1-benzothiophene is COCc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-2-phenyl-1-benzothiophene?
The InChIKey is NXUKPOCZSFLKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-17-11-14-13-9-5-6-10-15(13)18-16(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 3-(methoxymethyl)-2-phenyl-1-benzothiophene?
3-(methoxymethyl)-2-phenyl-1-benzothiophene has a molecular weight of 254.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-phenyl-1-benzothiophene is sourced from PubChem (CID 102186891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).