[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate

C11H13FO3 — CID 68980533

IUPAC[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
SMILESCC(=O)Oc1cc(CCCO)ccc1F
InChIInChI=1S/C11H13FO3/c1-8(14)15-11-7-9(3-2-6-13)4-5-10(11)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyQBUBJZMCCPEMGE-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.68
Rot. Bonds4

About [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate

[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate (PubChem CID 68980533) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate.

Molecular Properties

Compound Name[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
PubChem CID68980533
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
SMILESCC(=O)Oc1cc(CCCO)ccc1F
InChIInChI=1S/C11H13FO3/c1-8(14)15-11-7-9(3-2-6-13)4-5-10(11)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyQBUBJZMCCPEMGE-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[5-(aminomethyl)-2-fluorophenyl] acetate
CID 174670603
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
CID 11694368
[4-[4-[4-(4-acetyloxy-3-methoxyphenyl)butoxy]butyl]-2-methoxyphenyl] acetate
CID 156696041
tris[2-(3,4-diacetyloxyphenyl)ethyl]selanium
CID 71489018
(2-fluoro-4,5-dihydroxyphenyl) acetate
CID 91585286
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830
[2-acetyloxy-4-[5-(3,4-dimethylphenyl)-4-oxopentyl]phenyl] acetate
CID 58348906
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778
[4-[(carbonofluoridoylamino)methyl]-2-fluorophenyl] acetate
CID 165120776
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
[2-(N-acetyloxy-C-methylcarbonimidoyl)-5-nonylphenyl] acetate
CID 123925054
2-(4-acetyloxy-2,5-difluorophenyl)acetic acid
CID 166114241

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate?
The IUPAC name of [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate (CID 68980533) is [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate.
What is the SMILES notation for [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate?
The canonical SMILES for [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate is CC(=O)Oc1cc(CCCO)ccc1F.
What is the InChIKey of [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate?
The InChIKey is QBUBJZMCCPEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-8(14)15-11-7-9(3-2-6-13)4-5-10(11)12/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate?
[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate has a molecular weight of 212.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(3-hydroxypropyl)phenyl] acetate is sourced from PubChem (CID 68980533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).