(2,6-dihydroxyphenyl) acetate

C8H8O4 — CID 19910305

IUPAC(2,6-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1c(O)cccc1O
InChIInChI=1S/C8H8O4/c1-5(9)12-8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKeyRXYATMWEEMDQEN-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.02
Rot. Bonds1

About (2,6-dihydroxyphenyl) acetate

(2,6-dihydroxyphenyl) acetate (PubChem CID 19910305) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl) acetate.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl) acetate
PubChem CID19910305
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(2,6-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1c(O)cccc1O
InChIInChI=1S/C8H8O4/c1-5(9)12-8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKeyRXYATMWEEMDQEN-UHFFFAOYSA-N
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.02
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

(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
(3-acetyloxy-2,4-dihydroxyphenyl) acetate
CID 23045362
(2,6-diethylphenyl) acetate
CID 23273842
(2,6-dihydroxyphenyl) butanoate
CID 91363565
(3-acetyloxy-5-hydroxy-2-oxochromen-4-yl) acetate
CID 19928858
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
(2,3-dihydroxynaphthalen-1-yl) acetate
CID 154088408
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
3-acetyl-2-acetyloxybenzoic acid
CID 18432402

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl) acetate?
The IUPAC name of (2,6-dihydroxyphenyl) acetate (CID 19910305) is (2,6-dihydroxyphenyl) acetate.
What is the SMILES notation for (2,6-dihydroxyphenyl) acetate?
The canonical SMILES for (2,6-dihydroxyphenyl) acetate is CC(=O)Oc1c(O)cccc1O.
What is the InChIKey of (2,6-dihydroxyphenyl) acetate?
The InChIKey is RXYATMWEEMDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-5(9)12-8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3.
What are the key properties of (2,6-dihydroxyphenyl) acetate?
(2,6-dihydroxyphenyl) acetate has a molecular weight of 168.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl) acetate is sourced from PubChem (CID 19910305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).