(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol

C20H16O2 — CID 11029274

IUPAC(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
SMILESO[C@H](C#C/C=C\C#C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O2/c21-19(17-11-5-3-6-12-17)15-9-1-2-10-16-20(22)18-13-7-4-8-14-18/h1-8,11-14,19-22H/b2-1-/t19-,20+
InChIKeyMRVZSQBOSSHQLD-DZNLNZEASA-N
MW288.35 g/mol
LogP3.02
Rot. Bonds2

About (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol

(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol (PubChem CID 11029274) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
PubChem CID11029274
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
SMILESO[C@H](C#C/C=C\C#C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O2/c21-19(17-11-5-3-6-12-17)15-9-1-2-10-16-20(22)18-13-7-4-8-14-18/h1-8,11-14,19-22H/b2-1-/t19-,20+
InChIKeyMRVZSQBOSSHQLD-DZNLNZEASA-N
XLogP3.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
CID 51031562
3-phenylprop-1-yne-1,3-diol
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4-hydroxy-4-phenylbut-2-ynoic acid
CID 71381701
1,5-diphenylpent-2-yne-1,5-diol
CID 581819
3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
CID 130122146
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
4-methyl-1-phenyl-4-trimethylsilylpent-2-yn-1-ol
CID 10243671
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
1,2-diphenylethane-1,2-diol
CID 159073808
3-chloropropan-1-ol;1-phenylbut-2-yn-1-ol
CID 162101855
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414

Frequently Asked Questions

What is the IUPAC name of (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol (CID 11029274) is (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol is O[C@H](C#C/C=C\C#C[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol?
The InChIKey is MRVZSQBOSSHQLD-DZNLNZEASA-N. The full InChI is InChI=1S/C20H16O2/c21-19(17-11-5-3-6-12-17)15-9-1-2-10-16-20(22)18-13-7-4-8-14-18/h1-8,11-14,19-22H/b2-1-/t19-,20+.
What are the key properties of (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol?
(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol has a molecular weight of 288.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 11029274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).