3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol

C9H11FO3 — CID 117280370

IUPAC3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1ccc(F)c(O)c1O
InChIInChI=1S/C9H11FO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3
InChIKeyMTTJTZUAKDSEAU-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.16
Rot. Bonds2

About 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol

3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol (PubChem CID 117280370) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
PubChem CID117280370
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1ccc(F)c(O)c1O
InChIInChI=1S/C9H11FO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3
InChIKeyMTTJTZUAKDSEAU-UHFFFAOYSA-N
XLogP1.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 51.16
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

3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol
CID 117280369
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117305547
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol?
The IUPAC name of 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol (CID 117280370) is 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol.
What is the SMILES notation for 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol?
The canonical SMILES for 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol is CC(O)Cc1ccc(F)c(O)c1O.
What is the InChIKey of 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol?
The InChIKey is MTTJTZUAKDSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c1-5(11)4-6-2-3-7(10)9(13)8(6)12/h2-3,5,11-13H,4H2,1H3.
What are the key properties of 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol?
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol has a molecular weight of 186.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol is sourced from PubChem (CID 117280370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).