3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol

C13H11FO3 — CID 117219510

IUPAC3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
SMILESOc1ccc(COc2ccccc2O)c(F)c1
InChIInChI=1S/C13H11FO3/c14-11-7-10(15)6-5-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2
InChIKeyYSEQZXVBBAETRD-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.82
Rot. Bonds3

About 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol

3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol (PubChem CID 117219510) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
PubChem CID117219510
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
SMILESOc1ccc(COc2ccccc2O)c(F)c1
InChIInChI=1S/C13H11FO3/c14-11-7-10(15)6-5-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2
InChIKeyYSEQZXVBBAETRD-UHFFFAOYSA-N
XLogP2.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
4-(chloromethyl)-3-fluorophenol
CID 54246792
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol?
The IUPAC name of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol (CID 117219510) is 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol?
The canonical SMILES for 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol is Oc1ccc(COc2ccccc2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol?
The InChIKey is YSEQZXVBBAETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-11-7-10(15)6-5-9(11)8-17-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2.
What are the key properties of 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol?
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol has a molecular weight of 234.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol is sourced from PubChem (CID 117219510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).