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

C12H12O — CID 131872035

IUPAC6-phenylhex-3-en-5-yn-1-ol
SMILESOCCC=CC#Cc1ccccc1
InChIInChI=1S/C12H12O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1-3,5-6,9-10,13H,7,11H2
InChIKeyLSNYLMCDQYBWAV-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.98
Rot. Bonds2

About 6-phenylhex-3-en-5-yn-1-ol

6-phenylhex-3-en-5-yn-1-ol (PubChem CID 131872035) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-phenylhex-3-en-5-yn-1-ol.

Molecular Properties

Compound Name6-phenylhex-3-en-5-yn-1-ol
PubChem CID131872035
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name6-phenylhex-3-en-5-yn-1-ol
SMILESOCCC=CC#Cc1ccccc1
InChIInChI=1S/C12H12O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1-3,5-6,9-10,13H,7,11H2
InChIKeyLSNYLMCDQYBWAV-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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)-6-bromohex-3-en-1-ynyl]benzene
CID 131234021
trimethyl-[(Z)-5-phenylpent-2-en-4-ynyl]silane
CID 11356347
(Z)-11-phenylundec-8-en-10-yn-2-one
CID 25186776
[(Z)-4-chlorobut-3-en-1-ynyl]benzene
CID 11126589
(E)-5-phenylpent-2-en-4-ynenitrile
CID 102085204
1,3-bis[(E)-oct-3-en-1-ynyl]benzene
CID 102148905
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945
(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256
(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
(E)-5-chloro-8-phenyloct-5-en-3,7-diyn-1-ol
CID 11806493
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 6-phenylhex-3-en-5-yn-1-ol?
The IUPAC name of 6-phenylhex-3-en-5-yn-1-ol (CID 131872035) is 6-phenylhex-3-en-5-yn-1-ol.
What is the SMILES notation for 6-phenylhex-3-en-5-yn-1-ol?
The canonical SMILES for 6-phenylhex-3-en-5-yn-1-ol is OCCC=CC#Cc1ccccc1.
What is the InChIKey of 6-phenylhex-3-en-5-yn-1-ol?
The InChIKey is LSNYLMCDQYBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h1-3,5-6,9-10,13H,7,11H2.
What are the key properties of 6-phenylhex-3-en-5-yn-1-ol?
6-phenylhex-3-en-5-yn-1-ol has a molecular weight of 172.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhex-3-en-5-yn-1-ol is sourced from PubChem (CID 131872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).