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

C9H11FO3 — CID 117280369

IUPAC4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1c(F)ccc(O)c1O
InChIInChI=1S/C9H11FO3/c1-5(11)4-6-7(10)2-3-8(12)9(6)13/h2-3,5,11-13H,4H2,1H3
InChIKeyKORAIEJRDXOKRA-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.16
Rot. Bonds2

About 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol

4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol (PubChem CID 117280369) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol
PubChem CID117280369
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol
SMILESCC(O)Cc1c(F)ccc(O)c1O
InChIInChI=1S/C9H11FO3/c1-5(11)4-6-7(10)2-3-8(12)9(6)13/h2-3,5,11-13H,4H2,1H3
InChIKeyKORAIEJRDXOKRA-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-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
5-chloro-3-(2-hydroxypropyl)-4-methylbenzene-1,2-diol
CID 117308659
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
4-bromo-2-(2-hydroxypropyl)-3-methylphenol
CID 117364048
3-bromo-4-(2-hydroxypropyl)-5-methylbenzene-1,2-diol
CID 117406451
4-fluoro-3-(isocyanatomethyl)benzene-1,2-diol
CID 117279303
3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
CID 84811125
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916
2,4-difluoro-3-(2-hydroxypropyl)-5-methoxyphenol
CID 117310551

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol?
The IUPAC name of 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol (CID 117280369) is 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol.
What is the SMILES notation for 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol?
The canonical SMILES for 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol is CC(O)Cc1c(F)ccc(O)c1O.
What is the InChIKey of 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol?
The InChIKey is KORAIEJRDXOKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c1-5(11)4-6-7(10)2-3-8(12)9(6)13/h2-3,5,11-13H,4H2,1H3.
What are the key properties of 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol?
4-fluoro-3-(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 4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol is sourced from PubChem (CID 117280369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).