[4-(1-hydroxyethenoxy)phenyl]methyl acetate

C11H12O4 — CID 59935011

IUPAC[4-(1-hydroxyethenoxy)phenyl]methyl acetate
SMILESC=C(O)Oc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H12O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6,13H,2,7H2,1H3
InChIKeyGXYUOCFATZRIQS-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.16
Rot. Bonds4

About [4-(1-hydroxyethenoxy)phenyl]methyl acetate

[4-(1-hydroxyethenoxy)phenyl]methyl acetate (PubChem CID 59935011) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is [4-(1-hydroxyethenoxy)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(1-hydroxyethenoxy)phenyl]methyl acetate
PubChem CID59935011
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name[4-(1-hydroxyethenoxy)phenyl]methyl acetate
SMILESC=C(O)Oc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H12O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6,13H,2,7H2,1H3
InChIKeyGXYUOCFATZRIQS-UHFFFAOYSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethenoxy)phenyl]methyl acetate?
The IUPAC name of [4-(1-hydroxyethenoxy)phenyl]methyl acetate (CID 59935011) is [4-(1-hydroxyethenoxy)phenyl]methyl acetate.
What is the SMILES notation for [4-(1-hydroxyethenoxy)phenyl]methyl acetate?
The canonical SMILES for [4-(1-hydroxyethenoxy)phenyl]methyl acetate is C=C(O)Oc1ccc(COC(C)=O)cc1.
What is the InChIKey of [4-(1-hydroxyethenoxy)phenyl]methyl acetate?
The InChIKey is GXYUOCFATZRIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6,13H,2,7H2,1H3.
What are the key properties of [4-(1-hydroxyethenoxy)phenyl]methyl acetate?
[4-(1-hydroxyethenoxy)phenyl]methyl acetate has a molecular weight of 208.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethenoxy)phenyl]methyl acetate is sourced from PubChem (CID 59935011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).