(3,5-dihydroxyphenyl) pentanoate

C11H14O4 — CID 67920605

IUPAC(3,5-dihydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O4/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,12-13H,2-4H2,1H3
InChIKeyHXEIZBQMTOACED-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.19
Rot. Bonds4

About (3,5-dihydroxyphenyl) pentanoate

(3,5-dihydroxyphenyl) pentanoate (PubChem CID 67920605) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl) pentanoate.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl) pentanoate
PubChem CID67920605
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(3,5-dihydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O4/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,12-13H,2-4H2,1H3
InChIKeyHXEIZBQMTOACED-UHFFFAOYSA-N
XLogP2.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-5-hydroxyphenyl) pentanoate
CID 68904581
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-ditert-butyl-4-hydroxyphenyl) octanoate
CID 90808029
[4-[2-(3-decanoyloxy-5-hydroxyphenyl)ethenyl]phenyl] decanoate
CID 68910734
(3,5-dihydroxyphenyl) 4-methylpentanoate
CID 175149817
4-O-[4-(3,5-dihydroxyphenoxy)-4-oxobutyl] 1-O-ethyl (Z)-but-2-enedioate
CID 69125588
(3-heptanoyloxy-5-methylphenyl) heptanoate;(3-hexanoyloxy-5-methylphenyl) hexanoate
CID 177246744
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
(2,4,6-trihydroxyphenyl) hexadecanoate
CID 70607644

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl) pentanoate?
The IUPAC name of (3,5-dihydroxyphenyl) pentanoate (CID 67920605) is (3,5-dihydroxyphenyl) pentanoate.
What is the SMILES notation for (3,5-dihydroxyphenyl) pentanoate?
The canonical SMILES for (3,5-dihydroxyphenyl) pentanoate is CCCCC(=O)Oc1cc(O)cc(O)c1.
What is the InChIKey of (3,5-dihydroxyphenyl) pentanoate?
The InChIKey is HXEIZBQMTOACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-3-4-11(14)15-10-6-8(12)5-9(13)7-10/h5-7,12-13H,2-4H2,1H3.
What are the key properties of (3,5-dihydroxyphenyl) pentanoate?
(3,5-dihydroxyphenyl) pentanoate has a molecular weight of 210.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl) pentanoate is sourced from PubChem (CID 67920605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).