4-phenylbut-3-yn-1-ol

C10H10O — CID 575462

IUPAC4-phenylbut-3-yn-1-ol
SMILESOCCC#Cc1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2
InChIKeyIBHSROAJVVUWSC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.42
Rot. Bonds1

About 4-phenylbut-3-yn-1-ol

4-phenylbut-3-yn-1-ol (PubChem CID 575462) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-phenylbut-3-yn-1-ol.

Molecular Properties

Compound Name4-phenylbut-3-yn-1-ol
PubChem CID575462
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-phenylbut-3-yn-1-ol
SMILESOCCC#Cc1ccccc1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2
InChIKeyIBHSROAJVVUWSC-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbut-3-yn-1-ol?
The IUPAC name of 4-phenylbut-3-yn-1-ol (CID 575462) is 4-phenylbut-3-yn-1-ol.
What is the SMILES notation for 4-phenylbut-3-yn-1-ol?
The canonical SMILES for 4-phenylbut-3-yn-1-ol is OCCC#Cc1ccccc1.
What is the InChIKey of 4-phenylbut-3-yn-1-ol?
The InChIKey is IBHSROAJVVUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2.
What are the key properties of 4-phenylbut-3-yn-1-ol?
4-phenylbut-3-yn-1-ol has a molecular weight of 146.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbut-3-yn-1-ol is sourced from PubChem (CID 575462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).