[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate

C17H16O3 — CID 155680336

IUPAC[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
SMILESC=Cc1ccccc1C(O)COC(=O)c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-13-8-6-7-11-15(13)16(18)12-20-17(19)14-9-4-3-5-10-14/h2-11,16,18H,1,12H2
InChIKeyNPXMODLMKMPJMA-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.22
Rot. Bonds5

About [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate

[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate (PubChem CID 155680336) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate.

Molecular Properties

Compound Name[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
PubChem CID155680336
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
SMILESC=Cc1ccccc1C(O)COC(=O)c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-13-8-6-7-11-15(13)16(18)12-20-17(19)14-9-4-3-5-10-14/h2-11,16,18H,1,12H2
InChIKeyNPXMODLMKMPJMA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-hydroxypent-4-enyl] benzoate
CID 11106524
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
2-methoxycarbonyloxybut-3-enyl benzoate
CID 102200830
2-amino-2-(2-ethenylphenyl)acetic acid
CID 55283582
[(2R)-3-bromo-2-hydroxypropyl] benzoate
CID 102180802
[(2S)-3-bromo-2-hydroxypropyl] benzoate
CID 102158882
[(E)-2-hydroxypent-3-enyl] benzoate
CID 101488122
[(2R)-2-(diphenylphosphorylmethyl)pent-4-enyl] benzoate
CID 25267228
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate?
The IUPAC name of [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate (CID 155680336) is [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate.
What is the SMILES notation for [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate?
The canonical SMILES for [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate is C=Cc1ccccc1C(O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate?
The InChIKey is NPXMODLMKMPJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-13-8-6-7-11-15(13)16(18)12-20-17(19)14-9-4-3-5-10-14/h2-11,16,18H,1,12H2.
What are the key properties of [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate?
[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate is sourced from PubChem (CID 155680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).