(E,3R)-1-phenylhex-1-en-5-yn-3-ol

C12H12O — CID 11041183

IUPAC(E,3R)-1-phenylhex-1-en-5-yn-3-ol
SMILESC#CC[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H12O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h1,3-5,7-10,12-13H,6H2/b10-9+/t12-/m1/s1
InChIKeyGFEXJIFQSYBITL-BZYZDCJZSA-N
MW172.23 g/mol
LogP2.08
Rot. Bonds3

About (E,3R)-1-phenylhex-1-en-5-yn-3-ol

(E,3R)-1-phenylhex-1-en-5-yn-3-ol (PubChem CID 11041183) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (E,3R)-1-phenylhex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name(E,3R)-1-phenylhex-1-en-5-yn-3-ol
PubChem CID11041183
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(E,3R)-1-phenylhex-1-en-5-yn-3-ol
SMILESC#CC[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H12O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h1,3-5,7-10,12-13H,6H2/b10-9+/t12-/m1/s1
InChIKeyGFEXJIFQSYBITL-BZYZDCJZSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
(Z,3S)-2-bromo-1-phenylhex-1-en-5-yn-3-ol
CID 129385185
(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410

Frequently Asked Questions

What is the IUPAC name of (E,3R)-1-phenylhex-1-en-5-yn-3-ol?
The IUPAC name of (E,3R)-1-phenylhex-1-en-5-yn-3-ol (CID 11041183) is (E,3R)-1-phenylhex-1-en-5-yn-3-ol.
What is the SMILES notation for (E,3R)-1-phenylhex-1-en-5-yn-3-ol?
The canonical SMILES for (E,3R)-1-phenylhex-1-en-5-yn-3-ol is C#CC[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R)-1-phenylhex-1-en-5-yn-3-ol?
The InChIKey is GFEXJIFQSYBITL-BZYZDCJZSA-N. The full InChI is InChI=1S/C12H12O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h1,3-5,7-10,12-13H,6H2/b10-9+/t12-/m1/s1.
What are the key properties of (E,3R)-1-phenylhex-1-en-5-yn-3-ol?
(E,3R)-1-phenylhex-1-en-5-yn-3-ol has a molecular weight of 172.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1-phenylhex-1-en-5-yn-3-ol is sourced from PubChem (CID 11041183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).