6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol

C16H21NO — CID 3236196

IUPAC6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol
SMILESC=CC(O)(C#CCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H21NO/c1-4-16(18,15-11-8-7-9-12-15)13-10-14-17(5-2)6-3/h4,7-9,11-12,18H,1,5-6,14H2,2-3H3
InChIKeyUTWPFXQZUJKXKV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds5

About 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol

6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol (PubChem CID 3236196) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol.

Molecular Properties

Compound Name6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol
PubChem CID3236196
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol
SMILESC=CC(O)(C#CCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H21NO/c1-4-16(18,15-11-8-7-9-12-15)13-10-14-17(5-2)6-3/h4,7-9,11-12,18H,1,5-6,14H2,2-3H3
InChIKeyUTWPFXQZUJKXKV-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol?
The IUPAC name of 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol (CID 3236196) is 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol.
What is the SMILES notation for 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol?
The canonical SMILES for 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol is C=CC(O)(C#CCN(CC)CC)c1ccccc1.
What is the InChIKey of 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol?
The InChIKey is UTWPFXQZUJKXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-16(18,15-11-8-7-9-12-15)13-10-14-17(5-2)6-3/h4,7-9,11-12,18H,1,5-6,14H2,2-3H3.
What are the key properties of 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol?
6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol has a molecular weight of 243.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-3-phenylhex-1-en-4-yn-3-ol is sourced from PubChem (CID 3236196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).