(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol

C17H24O4 — CID 23834663

IUPAC(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
SMILESC=C[C@@H]([C@H](O)CO)[C@H](O)CC/C(C)=C/c1ccccc1O
InChIInChI=1S/C17H24O4/c1-3-14(17(21)11-18)16(20)9-8-12(2)10-13-6-4-5-7-15(13)19/h3-7,10,14,16-21H,1,8-9,11H2,2H3/b12-10+/t14-,16-,17-/m1/s1
InChIKeyQJILGANSDSYKPF-OHVBZBGNSA-N
MW292.37 g/mol
LogP2.09
Rot. Bonds8

About (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol

(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol (PubChem CID 23834663) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol.

Molecular Properties

Compound Name(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
PubChem CID23834663
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
SMILESC=C[C@@H]([C@H](O)CO)[C@H](O)CC/C(C)=C/c1ccccc1O
InChIInChI=1S/C17H24O4/c1-3-14(17(21)11-18)16(20)9-8-12(2)10-13-6-4-5-7-15(13)19/h3-7,10,14,16-21H,1,8-9,11H2,2H3/b12-10+/t14-,16-,17-/m1/s1
InChIKeyQJILGANSDSYKPF-OHVBZBGNSA-N
XLogP2.09
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol?
The IUPAC name of (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol (CID 23834663) is (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol.
What is the SMILES notation for (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol?
The canonical SMILES for (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol is C=C[C@@H]([C@H](O)CO)[C@H](O)CC/C(C)=C/c1ccccc1O.
What is the InChIKey of (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol?
The InChIKey is QJILGANSDSYKPF-OHVBZBGNSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-14(17(21)11-18)16(20)9-8-12(2)10-13-6-4-5-7-15(13)19/h3-7,10,14,16-21H,1,8-9,11H2,2H3/b12-10+/t14-,16-,17-/m1/s1.
What are the key properties of (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol?
(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol has a molecular weight of 292.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol is sourced from PubChem (CID 23834663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).