ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

C18H20O5 — CID 175502826

IUPACethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCOC(C)=O.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C4H8O2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-6-4(2)5/h1-9,15-17H;3H2,1-2H3
InChIKeyWDUUVLRCRQDRAS-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.54
Rot. Bonds3

About ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 175502826) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Nameethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID175502826
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCCOC(C)=O.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C4H8O2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-6-4(2)5/h1-9,15-17H;3H2,1-2H3
InChIKeyWDUUVLRCRQDRAS-UHFFFAOYSA-N
XLogP3.54
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;stilbene
CID 159556390
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
benzene-1,3-diol;ethyl acetate
CID 175540003
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
acetic acid;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;octanethioic S-acid
CID 175188327
2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide
CID 68956435

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (CID 175502826) is ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is CCOC(C)=O.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is WDUUVLRCRQDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C4H8O2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-6-4(2)5/h1-9,15-17H;3H2,1-2H3.
What are the key properties of ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 316.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 175502826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).