(4-ethenyl-3-hydroxyphenyl) acetate

C10H10O3 — CID 130034523

IUPAC(4-ethenyl-3-hydroxyphenyl) acetate
SMILESC=Cc1ccc(OC(C)=O)cc1O
InChIInChI=1S/C10H10O3/c1-3-8-4-5-9(6-10(8)12)13-7(2)11/h3-6,12H,1H2,2H3
InChIKeyJKRWVYPOWLQUSB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.96
Rot. Bonds2

About (4-ethenyl-3-hydroxyphenyl) acetate

(4-ethenyl-3-hydroxyphenyl) acetate (PubChem CID 130034523) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (4-ethenyl-3-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(4-ethenyl-3-hydroxyphenyl) acetate
PubChem CID130034523
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(4-ethenyl-3-hydroxyphenyl) acetate
SMILESC=Cc1ccc(OC(C)=O)cc1O
InChIInChI=1S/C10H10O3/c1-3-8-4-5-9(6-10(8)12)13-7(2)11/h3-6,12H,1H2,2H3
InChIKeyJKRWVYPOWLQUSB-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.96
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-bromo-4-ethenylphenyl) acetate
CID 151856352
acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(3-acetyloxy-4-ethenylphenyl) 2,2-dimethylpropanoate
CID 10730185
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
4-ethenylbenzene-1,3-diol
CID 10374511
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(3-ethenyl-4,5-dimethylphenyl) acetate
CID 18976594
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
5-acetyloxy-2-formylbenzoic acid
CID 23035901

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-3-hydroxyphenyl) acetate?
The IUPAC name of (4-ethenyl-3-hydroxyphenyl) acetate (CID 130034523) is (4-ethenyl-3-hydroxyphenyl) acetate.
What is the SMILES notation for (4-ethenyl-3-hydroxyphenyl) acetate?
The canonical SMILES for (4-ethenyl-3-hydroxyphenyl) acetate is C=Cc1ccc(OC(C)=O)cc1O.
What is the InChIKey of (4-ethenyl-3-hydroxyphenyl) acetate?
The InChIKey is JKRWVYPOWLQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-3-8-4-5-9(6-10(8)12)13-7(2)11/h3-6,12H,1H2,2H3.
What are the key properties of (4-ethenyl-3-hydroxyphenyl) acetate?
(4-ethenyl-3-hydroxyphenyl) acetate has a molecular weight of 178.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-3-hydroxyphenyl) acetate is sourced from PubChem (CID 130034523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).