(1-hydroxy-2-phenoxyethyl) prop-2-enoate

C11H12O4 — CID 66615997

IUPAC(1-hydroxy-2-phenoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(O)COc1ccccc1
InChIInChI=1S/C11H12O4/c1-2-10(12)15-11(13)8-14-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2
InChIKeyYBOSNMKMILPYMR-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.11
Rot. Bonds5

About (1-hydroxy-2-phenoxyethyl) prop-2-enoate

(1-hydroxy-2-phenoxyethyl) prop-2-enoate (PubChem CID 66615997) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (1-hydroxy-2-phenoxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-2-phenoxyethyl) prop-2-enoate
PubChem CID66615997
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(1-hydroxy-2-phenoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(O)COc1ccccc1
InChIInChI=1S/C11H12O4/c1-2-10(12)15-11(13)8-14-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2
InChIKeyYBOSNMKMILPYMR-UHFFFAOYSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
[1-phenoxy-3-[4-[4-(3-phenoxy-2-prop-2-enoyloxypropyl)sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-yl] prop-2-enoate
CID 23111056
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
[1-phenoxy-3-[4-[4-(3-phenoxy-2-prop-2-enoyloxypropyl)sulfanylphenyl]sulfonylphenyl]sulfanylpropan-2-yl] prop-2-enoate
CID 23110995
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-phenoxyethyl) prop-2-enoate?
The IUPAC name of (1-hydroxy-2-phenoxyethyl) prop-2-enoate (CID 66615997) is (1-hydroxy-2-phenoxyethyl) prop-2-enoate.
What is the SMILES notation for (1-hydroxy-2-phenoxyethyl) prop-2-enoate?
The canonical SMILES for (1-hydroxy-2-phenoxyethyl) prop-2-enoate is C=CC(=O)OC(O)COc1ccccc1.
What is the InChIKey of (1-hydroxy-2-phenoxyethyl) prop-2-enoate?
The InChIKey is YBOSNMKMILPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-10(12)15-11(13)8-14-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2.
What are the key properties of (1-hydroxy-2-phenoxyethyl) prop-2-enoate?
(1-hydroxy-2-phenoxyethyl) prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-phenoxyethyl) prop-2-enoate is sourced from PubChem (CID 66615997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).