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

C8H9FO3 — CID 84654293

IUPAC3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1c(F)ccc(CO)c1O
InChIInChI=1S/C8H9FO3/c1-12-8-6(9)3-2-5(4-10)7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyGSICTGKQWIEDMK-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.03
Rot. Bonds2

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

3-fluoro-6-(hydroxymethyl)-2-methoxyphenol (PubChem CID 84654293) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
PubChem CID84654293
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1c(F)ccc(CO)c1O
InChIInChI=1S/C8H9FO3/c1-12-8-6(9)3-2-5(4-10)7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyGSICTGKQWIEDMK-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

6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994
(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
CID 59139832
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol?
The IUPAC name of 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol (CID 84654293) is 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol.
What is the SMILES notation for 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol?
The canonical SMILES for 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol is COc1c(F)ccc(CO)c1O.
What is the InChIKey of 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol?
The InChIKey is GSICTGKQWIEDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c1-12-8-6(9)3-2-5(4-10)7(8)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol?
3-fluoro-6-(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 3-fluoro-6-(hydroxymethyl)-2-methoxyphenol is sourced from PubChem (CID 84654293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).