2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol

C15H11FO4S — CID 117172586

IUPAC2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
SMILESO=S1(=O)C(COc2ccccc2O)=Cc2c(F)cccc21
InChIInChI=1S/C15H11FO4S/c16-12-4-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-5-13(14)17/h1-8,17H,9H2
InChIKeyZCGPYTXFMIPMKK-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol

2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol (PubChem CID 117172586) has the molecular formula C15H11FO4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
PubChem CID117172586
Molecular FormulaC15H11FO4S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
SMILESO=S1(=O)C(COc2ccccc2O)=Cc2c(F)cccc21
InChIInChI=1S/C15H11FO4S/c16-12-4-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-5-13(14)17/h1-8,17H,9H2
InChIKeyZCGPYTXFMIPMKK-UHFFFAOYSA-N
XLogP2.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117172579
4-fluoro-2-(propan-2-yloxymethyl)-1-benzothiophene 1,1-dioxide
CID 117172652
2-[(6-amino-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol
CID 117179578
[1,1-dioxo-2-(phenoxymethyl)-1-benzothiophen-4-yl]methanamine
CID 117172475
3-[(2-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170648
2-[(2-methyl-1,1-dioxo-1,3-thiazol-5-yl)methoxy]phenol
CID 117192456
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1-benzothiophen-4-ol
CID 117172645
4-fluoro-3-[(2-fluorophenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170643
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol?
The IUPAC name of 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol (CID 117172586) is 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol.
What is the SMILES notation for 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol?
The canonical SMILES for 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol is O=S1(=O)C(COc2ccccc2O)=Cc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol?
The InChIKey is ZCGPYTXFMIPMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4S/c16-12-4-3-7-15-11(12)8-10(21(15,18)19)9-20-14-6-2-1-5-13(14)17/h1-8,17H,9H2.
What are the key properties of 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol?
2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol has a molecular weight of 306.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methoxy]phenol is sourced from PubChem (CID 117172586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).