(3-fluoro-5-hydroxyphenyl) pentanoate

C11H13FO3 — CID 68904581

IUPAC(3-fluoro-5-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(O)cc(F)c1
InChIInChI=1S/C11H13FO3/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,13H,2-4H2,1H3
InChIKeyJDCNYQUUOUVTCZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.63
Rot. Bonds4

About (3-fluoro-5-hydroxyphenyl) pentanoate

(3-fluoro-5-hydroxyphenyl) pentanoate (PubChem CID 68904581) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (3-fluoro-5-hydroxyphenyl) pentanoate.

Molecular Properties

Compound Name(3-fluoro-5-hydroxyphenyl) pentanoate
PubChem CID68904581
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(3-fluoro-5-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(O)cc(F)c1
InChIInChI=1S/C11H13FO3/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,13H,2-4H2,1H3
InChIKeyJDCNYQUUOUVTCZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

(3,5-dihydroxyphenyl) pentanoate
CID 67920605
10-O-(3,5-difluorophenyl) 1-O-pentyl decanedioate
CID 91729268
bis(3,5-dihydroxyphenyl) pentanedioate
CID 54168599
(3-hydroxyphenyl) pentanoate
CID 68903948
(4-hydroxy-3,5-diiodophenyl) pentanoate
CID 155166186
[3,5-di(octanoyloxy)phenyl] octanoate
CID 89239822
(3,5-difluorophenyl) 6-bromohexanoate
CID 549761
(3,5-ditert-butyl-4-hydroxyphenyl) octanoate
CID 90808029
[4-[2-(3-decanoyloxy-5-hydroxyphenyl)ethenyl]phenyl] decanoate
CID 68910734
(3-hydroxy-5-propan-2-yloxyphenyl) (9Z,12Z)-octadeca-9,12-dienoate
CID 135188325
(3-heptanoyloxy-5-methylphenyl) heptanoate;(3-hexanoyloxy-5-methylphenyl) hexanoate
CID 177246744
(3-pentanoyloxyphenyl) hexanoate
CID 91704636

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-hydroxyphenyl) pentanoate?
The IUPAC name of (3-fluoro-5-hydroxyphenyl) pentanoate (CID 68904581) is (3-fluoro-5-hydroxyphenyl) pentanoate.
What is the SMILES notation for (3-fluoro-5-hydroxyphenyl) pentanoate?
The canonical SMILES for (3-fluoro-5-hydroxyphenyl) pentanoate is CCCCC(=O)Oc1cc(O)cc(F)c1.
What is the InChIKey of (3-fluoro-5-hydroxyphenyl) pentanoate?
The InChIKey is JDCNYQUUOUVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,13H,2-4H2,1H3.
What are the key properties of (3-fluoro-5-hydroxyphenyl) pentanoate?
(3-fluoro-5-hydroxyphenyl) pentanoate has a molecular weight of 212.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-hydroxyphenyl) pentanoate is sourced from PubChem (CID 68904581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).