7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene

C16H13FOS — CID 117183285

IUPAC7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
SMILESCc1ccc(OCc2cc3cccc(F)c3s2)cc1
InChIInChI=1S/C16H13FOS/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9H,10H2,1H3
InChIKeyRKACSCHRFDFIOK-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.93
Rot. Bonds3

About 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene

7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene (PubChem CID 117183285) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
PubChem CID117183285
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
SMILESCc1ccc(OCc2cc3cccc(F)c3s2)cc1
InChIInChI=1S/C16H13FOS/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9H,10H2,1H3
InChIKeyRKACSCHRFDFIOK-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

2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296
2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185334
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
8-fluoro-2-[(4-methylphenoxy)methyl]quinoline
CID 142083904
5-fluoro-2-[(4-methoxyphenoxy)methyl]-1-benzothiophene
CID 117176407
2-(methoxymethyl)-7-methyl-1-benzothiophene
CID 117186455
2-[(4-methylphenoxy)methyl]-1-benzothiophene-6-carboxylic acid
CID 117179916
azane;5-[(4-methylphenoxy)methyl]-3-phenyl-2-(trifluoromethyl)thiophene
CID 69253800
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
2-[(4-methylphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172975
3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
CID 117185338
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene?
The IUPAC name of 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene (CID 117183285) is 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene.
What is the SMILES notation for 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene?
The canonical SMILES for 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene is Cc1ccc(OCc2cc3cccc(F)c3s2)cc1.
What is the InChIKey of 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene?
The InChIKey is RKACSCHRFDFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FOS/c1-11-5-7-13(8-6-11)18-10-14-9-12-3-2-4-15(17)16(12)19-14/h2-9H,10H2,1H3.
What are the key properties of 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene?
7-fluoro-2-[(4-methylphenoxy)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 7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene is sourced from PubChem (CID 117183285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).