2-(4-hydroxyphenyl)ethyl acetate

C10H12O3 — CID 637753

IUPAC2-(4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyLDLOCPJLLDCCGO-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.50
Rot. Bonds3

About 2-(4-hydroxyphenyl)ethyl acetate

2-(4-hydroxyphenyl)ethyl acetate (PubChem CID 637753) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl acetate
PubChem CID637753
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(4-hydroxyphenyl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3
InChIKeyLDLOCPJLLDCCGO-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl acetate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl acetate (CID 637753) is 2-(4-hydroxyphenyl)ethyl acetate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl acetate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl acetate is CC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl acetate?
The InChIKey is LDLOCPJLLDCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl acetate?
2-(4-hydroxyphenyl)ethyl acetate has a molecular weight of 180.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl acetate is sourced from PubChem (CID 637753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).