(3-hydroxyphenyl) pentanoate

C11H14O3 — CID 68903948

IUPAC(3-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8,12H,2-3,7H2,1H3
InChIKeySFIAVHHACYJEBI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.49
Rot. Bonds4

About (3-hydroxyphenyl) pentanoate

(3-hydroxyphenyl) pentanoate (PubChem CID 68903948) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3-hydroxyphenyl) pentanoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) pentanoate
PubChem CID68903948
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3-hydroxyphenyl) pentanoate
SMILESCCCCC(=O)Oc1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8,12H,2-3,7H2,1H3
InChIKeySFIAVHHACYJEBI-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.49
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

bis(3-hydroxyphenyl) decanedioate;bis(3-hydroxyphenyl) hexanedioate
CID 66808075
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
(3,5-dihydroxyphenyl) pentanoate
CID 67920605
3-pentanoyloxybenzoic acid
CID 54854776
[3-(hydroxymethyl)phenyl] pentanoate
CID 156905609
9-[3-(3-hydroxyphenoxy)phenoxy]-9-oxononanoic acid
CID 66846062
(3-ethylphenyl) nonanoate
CID 91711448
(3-fluoro-5-hydroxyphenyl) pentanoate
CID 68904581
bis(3-methylphenyl) pentanedioate
CID 70246036
(3-pentanoyloxyphenyl) pyridine-4-carboxylate
CID 91734959
(3-carbonochloridoylphenyl) undecanoate
CID 141114189
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) pentanoate?
The IUPAC name of (3-hydroxyphenyl) pentanoate (CID 68903948) is (3-hydroxyphenyl) pentanoate.
What is the SMILES notation for (3-hydroxyphenyl) pentanoate?
The canonical SMILES for (3-hydroxyphenyl) pentanoate is CCCCC(=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) pentanoate?
The InChIKey is SFIAVHHACYJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8,12H,2-3,7H2,1H3.
What are the key properties of (3-hydroxyphenyl) pentanoate?
(3-hydroxyphenyl) pentanoate has a molecular weight of 194.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) pentanoate is sourced from PubChem (CID 68903948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).