prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate

C17H16O3 — CID 67659535

IUPACprop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
SMILESC=CCOC(=O)Cc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C17H16O3/c1-2-11-20-17(19)12-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h2-10,18H,1,11-12H2
InChIKeyJHASQBQCZDEADJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds5

About prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate

prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate (PubChem CID 67659535) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
PubChem CID67659535
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameprop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
SMILESC=CCOC(=O)Cc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C17H16O3/c1-2-11-20-17(19)12-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h2-10,18H,1,11-12H2
InChIKeyJHASQBQCZDEADJ-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one
CID 70549715
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate
CID 86241422
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate?
The IUPAC name of prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate (CID 67659535) is prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate.
What is the SMILES notation for prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate?
The canonical SMILES for prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate is C=CCOC(=O)Cc1ccc(-c2ccccc2O)cc1.
What is the InChIKey of prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate?
The InChIKey is JHASQBQCZDEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-11-20-17(19)12-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h2-10,18H,1,11-12H2.
What are the key properties of prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate?
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate has a molecular weight of 268.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate is sourced from PubChem (CID 67659535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).