(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol

C23H30O4 — CID 23918860

IUPAC(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol
SMILESC=C[C@H]([C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccc1)[C@H](O)C(C)C
InChIInChI=1S/C23H30O4/c1-4-21(23(26)16(2)3)22(25)13-10-18(17-8-6-5-7-9-17)14-19-11-12-20(15-24)27-19/h4-9,11-12,14,16,21-26H,1,10,13,15H2,2-3H3/b18-14-/t21-,22-,23-/m1/s1
InChIKeyKXAIUTWEESHINS-ZHJYJJPYSA-N
MW370.49 g/mol
LogP4.27
Rot. Bonds10

About (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol

(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol (PubChem CID 23918860) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol.

Molecular Properties

Compound Name(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol
PubChem CID23918860
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol
SMILESC=C[C@H]([C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccc1)[C@H](O)C(C)C
InChIInChI=1S/C23H30O4/c1-4-21(23(26)16(2)3)22(25)13-10-18(17-8-6-5-7-9-17)14-19-11-12-20(15-24)27-19/h4-9,11-12,14,16,21-26H,1,10,13,15H2,2-3H3/b18-14-/t21-,22-,23-/m1/s1
InChIKeyKXAIUTWEESHINS-ZHJYJJPYSA-N
XLogP4.27
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol
CID 23862005
[5-[(Z)-4-[3-(3-methylbut-1-en-2-yl)-2,5-dihydrofuran-2-yl]-2-phenylbut-1-enyl]furan-2-yl]methanol
CID 23775754
(Z,1S,2R,3R)-2-ethenyl-7-(2-hydroxyphenyl)-1-(4-methoxyphenyl)-6-phenylhept-6-ene-1,3-diol
CID 23918855
(Z,1S,2R,3R)-2-ethenyl-7-(2-hydroxyphenyl)-6-phenyl-1-thiophen-2-ylhept-6-ene-1,3-diol
CID 23890819
[5-[(Z)-4-(5-but-1-en-2-yl-2-hydroxy-3,6-dihydrooxaborinin-6-yl)-2-phenylbut-1-enyl]furan-2-yl]methanol
CID 23973784
(3aS,4R,7aR)-2-(4-anilinophenyl)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)furan-2-yl]-4-phenylpent-4-enyl]-4-(hydroxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23918347
(E,2S,3R,4R)-3-ethenyl-8-(2-hydroxyphenyl)-7-methyloct-7-ene-1,2,4-triol
CID 23834663
6-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-[5-(hydroxymethyl)furan-2-yl]-4-phenylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid
CID 23890320
2-ethenyl-5-(2-methylpropyl)furan
CID 71428400
(2R,3S,4R,7E)-3-ethenyl-7-[(2-hydroxyphenyl)methylidene]decane-2,4-diol
CID 23834664
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109

Frequently Asked Questions

What is the IUPAC name of (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol?
The IUPAC name of (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol (CID 23918860) is (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol.
What is the SMILES notation for (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol?
The canonical SMILES for (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol is C=C[C@H]([C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccc1)[C@H](O)C(C)C.
What is the InChIKey of (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol?
The InChIKey is KXAIUTWEESHINS-ZHJYJJPYSA-N. The full InChI is InChI=1S/C23H30O4/c1-4-21(23(26)16(2)3)22(25)13-10-18(17-8-6-5-7-9-17)14-19-11-12-20(15-24)27-19/h4-9,11-12,14,16,21-26H,1,10,13,15H2,2-3H3/b18-14-/t21-,22-,23-/m1/s1.
What are the key properties of (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol?
(Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol has a molecular weight of 370.49 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4R,5R)-4-ethenyl-9-[5-(hydroxymethyl)furan-2-yl]-2-methyl-8-phenylnon-8-ene-3,5-diol is sourced from PubChem (CID 23918860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).