3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene

C15H10ClFOS — CID 117181558

IUPAC3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
SMILESFc1cccc2c(COc3ccc(Cl)cc3)csc12
InChIInChI=1S/C15H10ClFOS/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9H,8H2
InChIKeyWDIWNDFCZLPVKT-UHFFFAOYSA-N
MW292.76 g/mol
LogP5.27
Rot. Bonds3

About 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene

3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene (PubChem CID 117181558) has the molecular formula C15H10ClFOS and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
PubChem CID117181558
Molecular FormulaC15H10ClFOS
Molecular Weight292.76 g/mol
Exact Mass292.01
IUPAC Name3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
SMILESFc1cccc2c(COc3ccc(Cl)cc3)csc12
InChIInChI=1S/C15H10ClFOS/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9H,8H2
InChIKeyWDIWNDFCZLPVKT-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.76
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181555
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181553
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181536
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
3-[(4-chlorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185073
3-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181514

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene (CID 117181558) is 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene is Fc1cccc2c(COc3ccc(Cl)cc3)csc12.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene?
The InChIKey is WDIWNDFCZLPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFOS/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9H,8H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene?
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene has a molecular weight of 292.76 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene is sourced from PubChem (CID 117181558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).