1-phenylpent-1-en-4-yn-3-ol

C11H10O — CID 570771

IUPAC1-phenylpent-1-en-4-yn-3-ol
SMILESC#CC(O)C=Cc1ccccc1
InChIInChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-9,11-12H
InChIKeyFZGJGBSLOXLHAL-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.69
Rot. Bonds2

About 1-phenylpent-1-en-4-yn-3-ol

1-phenylpent-1-en-4-yn-3-ol (PubChem CID 570771) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-phenylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name1-phenylpent-1-en-4-yn-3-ol
PubChem CID570771
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-phenylpent-1-en-4-yn-3-ol
SMILESC#CC(O)C=Cc1ccccc1
InChIInChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-9,11-12H
InChIKeyFZGJGBSLOXLHAL-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.69
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

3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol
CID 102383494
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(1E,3R)-6-methyl-1-phenylhepta-1,6-dien-4-yn-3-ol
CID 71614789
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(E,3R)-6,6-diethoxy-1-phenylhex-1-en-4-yn-3-ol
CID 101388650
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815

Frequently Asked Questions

What is the IUPAC name of 1-phenylpent-1-en-4-yn-3-ol?
The IUPAC name of 1-phenylpent-1-en-4-yn-3-ol (CID 570771) is 1-phenylpent-1-en-4-yn-3-ol.
What is the SMILES notation for 1-phenylpent-1-en-4-yn-3-ol?
The canonical SMILES for 1-phenylpent-1-en-4-yn-3-ol is C#CC(O)C=Cc1ccccc1.
What is the InChIKey of 1-phenylpent-1-en-4-yn-3-ol?
The InChIKey is FZGJGBSLOXLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-9,11-12H.
What are the key properties of 1-phenylpent-1-en-4-yn-3-ol?
1-phenylpent-1-en-4-yn-3-ol has a molecular weight of 158.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 570771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).