(3-hydroxyphenyl) acetate

C8H8O3 — CID 5055

IUPAC(3-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cccc(O)c1
InChIInChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKeyZZPKZRHERLGEKA-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.32
Rot. Bonds1

About (3-hydroxyphenyl) acetate

(3-hydroxyphenyl) acetate (PubChem CID 5055) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (3-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(3-hydroxyphenyl) acetate
PubChem CID5055
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(3-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cccc(O)c1
InChIInChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKeyZZPKZRHERLGEKA-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.32
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

4-Methylumbelliferone
CID 5280567
Phenyl acetate
CID 31229
3-Methoxyphenol
CID 9007
Flamenol
CID 71648
3-Phenoxyphenol
CID 12842
3,5-Dimethoxyphenol
CID 10383
4-Hydroxyphenyl acetate
CID 96009
1,3-Diacetoxybenzene
CID 7942
3-Ethoxyphenol
CID 69306
7-hydroxy-4-propyl-2H-chromen-2-one
CID 5322246
1,2,4-Triacetoxybenzene
CID 69169
2-(3-Methoxyphenoxy)acetic acid
CID 74969

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) acetate?
The IUPAC name of (3-hydroxyphenyl) acetate (CID 5055) is (3-hydroxyphenyl) acetate.
What is the SMILES notation for (3-hydroxyphenyl) acetate?
The canonical SMILES for (3-hydroxyphenyl) acetate is CC(=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) acetate?
The InChIKey is ZZPKZRHERLGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3.
What are the key properties of (3-hydroxyphenyl) acetate?
(3-hydroxyphenyl) acetate has a molecular weight of 152.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) acetate is sourced from PubChem (CID 5055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).