3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol

C10H13FO3 — CID 117289209

IUPAC3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
SMILESCC(C)(CO)c1ccc(F)c(O)c1O
InChIInChI=1S/C10H13FO3/c1-10(2,5-12)6-3-4-7(11)9(14)8(6)13/h3-4,12-14H,5H2,1-2H3
InChIKeyCPICXUTUUJTMBO-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.51
Rot. Bonds2

About 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol

3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol (PubChem CID 117289209) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
PubChem CID117289209
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
SMILESCC(C)(CO)c1ccc(F)c(O)c1O
InChIInChI=1S/C10H13FO3/c1-10(2,5-12)6-3-4-7(11)9(14)8(6)13/h3-4,12-14H,5H2,1-2H3
InChIKeyCPICXUTUUJTMBO-UHFFFAOYSA-N
XLogP1.51
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328985
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
CID 117113721

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol?
The IUPAC name of 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol (CID 117289209) is 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol is CC(C)(CO)c1ccc(F)c(O)c1O.
What is the InChIKey of 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol?
The InChIKey is CPICXUTUUJTMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-10(2,5-12)6-3-4-7(11)9(14)8(6)13/h3-4,12-14H,5H2,1-2H3.
What are the key properties of 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol?
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol has a molecular weight of 200.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol is sourced from PubChem (CID 117289209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).