6-fluoro-3-(hydroxymethyl)-2-methoxyphenol

C8H9FO3 — CID 117276907

IUPAC6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1c(CO)ccc(F)c1O
InChIInChI=1S/C8H9FO3/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyFTTQGEXHGJKOFQ-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.03
Rot. Bonds2

About 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol

6-fluoro-3-(hydroxymethyl)-2-methoxyphenol (PubChem CID 117276907) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
PubChem CID117276907
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1c(CO)ccc(F)c1O
InChIInChI=1S/C8H9FO3/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyFTTQGEXHGJKOFQ-UHFFFAOYSA-N
XLogP1.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994
(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol?
The IUPAC name of 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol (CID 117276907) is 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol.
What is the SMILES notation for 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol?
The canonical SMILES for 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol is COc1c(CO)ccc(F)c1O.
What is the InChIKey of 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol?
The InChIKey is FTTQGEXHGJKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol?
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol has a molecular weight of 172.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(hydroxymethyl)-2-methoxyphenol is sourced from PubChem (CID 117276907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).