5-phenylhex-4-en-1-yn-3-ol

C12H12O — CID 130127782

IUPAC5-phenylhex-4-en-1-yn-3-ol
SMILESC#CC(O)C=C(C)c1ccccc1
InChIInChI=1S/C12H12O/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h1,4-9,12-13H,2H3
InChIKeyCLZXCHCYWCHDIA-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.08
Rot. Bonds2

About 5-phenylhex-4-en-1-yn-3-ol

5-phenylhex-4-en-1-yn-3-ol (PubChem CID 130127782) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-phenylhex-4-en-1-yn-3-ol.

Molecular Properties

Compound Name5-phenylhex-4-en-1-yn-3-ol
PubChem CID130127782
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name5-phenylhex-4-en-1-yn-3-ol
SMILESC#CC(O)C=C(C)c1ccccc1
InChIInChI=1S/C12H12O/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h1,4-9,12-13H,2H3
InChIKeyCLZXCHCYWCHDIA-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

4-methylhex-2-en-2-ylbenzene
CID 76543432
4-phenylpent-3-ene-1,2-diol
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1,1,1-trifluoro-4-phenylpent-3-en-2-ol
CID 54050164
(E,2S,3R)-1,2-dideuterio-5-phenylhex-4-ene-2,3-diol
CID 44613846
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
1-[(Z)-4-phenylpent-3-en-2-yl]pyrrolidine
CID 66742396
1-[2-[(E)-3-phenylbut-2-enyl]sulfanylphenyl]prop-2-yn-1-ol
CID 102473498
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099
4-phenyl-2-propan-2-ylpent-3-enoic acid
CID 54028132
1-phenylpent-1-en-4-yn-3-ol
CID 570771
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
[(E)-4-ethenoxypent-2-en-2-yl]benzene
CID 134840505

Frequently Asked Questions

What is the IUPAC name of 5-phenylhex-4-en-1-yn-3-ol?
The IUPAC name of 5-phenylhex-4-en-1-yn-3-ol (CID 130127782) is 5-phenylhex-4-en-1-yn-3-ol.
What is the SMILES notation for 5-phenylhex-4-en-1-yn-3-ol?
The canonical SMILES for 5-phenylhex-4-en-1-yn-3-ol is C#CC(O)C=C(C)c1ccccc1.
What is the InChIKey of 5-phenylhex-4-en-1-yn-3-ol?
The InChIKey is CLZXCHCYWCHDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-3-12(13)9-10(2)11-7-5-4-6-8-11/h1,4-9,12-13H,2H3.
What are the key properties of 5-phenylhex-4-en-1-yn-3-ol?
5-phenylhex-4-en-1-yn-3-ol has a molecular weight of 172.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylhex-4-en-1-yn-3-ol is sourced from PubChem (CID 130127782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).