2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene

C16H13FOS — CID 117185334

IUPAC2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(COc3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H13FOS/c1-11-2-7-16-12(8-11)9-15(19-16)10-18-14-5-3-13(17)4-6-14/h2-9H,10H2,1H3
InChIKeyXAWKSHYUKMBMNC-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.93
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene

2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene (PubChem CID 117185334) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
PubChem CID117185334
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(COc3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H13FOS/c1-11-2-7-16-12(8-11)9-15(19-16)10-18-14-5-3-13(17)4-6-14/h2-9H,10H2,1H3
InChIKeyXAWKSHYUKMBMNC-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(4-methoxyphenoxy)methyl]-1-benzothiophene
CID 117176407
3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
CID 117185338
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
CID 117183285
3-methyl-5-[(5-methyl-1-benzothiophen-2-yl)methoxy]-1,3-benzoxazole-2-thione
CID 146648636
6-fluoro-2-(phenoxymethyl)-1-benzothiophene
CID 117179780
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
2-[(4-methylphenoxy)methyl]-1-benzothiophene-6-carboxylic acid
CID 117179916
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
(5-fluoro-1-benzothiophen-2-yl)methanol
CID 36995594
3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene (CID 117185334) is 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene is Cc1ccc2sc(COc3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene?
The InChIKey is XAWKSHYUKMBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FOS/c1-11-2-7-16-12(8-11)9-15(19-16)10-18-14-5-3-13(17)4-6-14/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene?
2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene has a molecular weight of 272.34 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene is sourced from PubChem (CID 117185334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).