2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate

C13H16O4 — CID 143230864

IUPAC2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
SMILESC=C(C)c1ccc(OCCOC(C)=O)cc1O
InChIInChI=1S/C13H16O4/c1-9(2)12-5-4-11(8-13(12)15)17-7-6-16-10(3)14/h4-5,8,15H,1,6-7H2,2-3H3
InChIKeyJCXHPKZUGFLUKK-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate

2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate (PubChem CID 143230864) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate.

Molecular Properties

Compound Name2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
PubChem CID143230864
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
SMILESC=C(C)c1ccc(OCCOC(C)=O)cc1O
InChIInChI=1S/C13H16O4/c1-9(2)12-5-4-11(8-13(12)15)17-7-6-16-10(3)14/h4-5,8,15H,1,6-7H2,2-3H3
InChIKeyJCXHPKZUGFLUKK-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
CID 22708942
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
2-[4-[4-[4-(2-acetyloxyethoxy)-2-hydroxyphenyl]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]ethyl acetate
CID 135828192
benzyl 4-(2-acetyloxyethoxy)-2-methoxybenzoate
CID 58984680
2-(4-benzoyl-3-hydroxyphenoxy)ethyl butanoate
CID 166903614
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate?
The IUPAC name of 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate (CID 143230864) is 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate.
What is the SMILES notation for 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate?
The canonical SMILES for 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate is C=C(C)c1ccc(OCCOC(C)=O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate?
The InChIKey is JCXHPKZUGFLUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(2)12-5-4-11(8-13(12)15)17-7-6-16-10(3)14/h4-5,8,15H,1,6-7H2,2-3H3.
What are the key properties of 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate?
2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate has a molecular weight of 236.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate is sourced from PubChem (CID 143230864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).