5-phenylhept-1-yn-4-ol

C13H16O — CID 115840091

IUPAC5-phenylhept-1-yn-4-ol
SMILESC#CCC(O)C(CC)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h1,5-7,9-10,12-14H,4,8H2,2H3
InChIKeyUCEUJVXTCPAHJU-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.56
Rot. Bonds4

About 5-phenylhept-1-yn-4-ol

5-phenylhept-1-yn-4-ol (PubChem CID 115840091) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-phenylhept-1-yn-4-ol.

Molecular Properties

Compound Name5-phenylhept-1-yn-4-ol
PubChem CID115840091
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-phenylhept-1-yn-4-ol
SMILESC#CCC(O)C(CC)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h1,5-7,9-10,12-14H,4,8H2,2H3
InChIKeyUCEUJVXTCPAHJU-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.56
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

6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
(2S)-3-phenylpentan-2-ol
CID 45048673
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
[(3R)-4-methylhex-5-yn-3-yl]benzene;propane;hydroiodide
CID 143352483
3-phenyl-1-thiophen-2-ylpentan-2-ol
CID 115785629
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-(4-isocyanophenyl)-1-phenylpent-4-yn-2-ol
CID 58482036
5-methyl-3-phenyloctan-4-ol
CID 107894691
3,4-diphenylhexanoic acid
CID 153127747
1-phenylpropan-1-ol;hydrate
CID 156782934
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511

Frequently Asked Questions

What is the IUPAC name of 5-phenylhept-1-yn-4-ol?
The IUPAC name of 5-phenylhept-1-yn-4-ol (CID 115840091) is 5-phenylhept-1-yn-4-ol.
What is the SMILES notation for 5-phenylhept-1-yn-4-ol?
The canonical SMILES for 5-phenylhept-1-yn-4-ol is C#CCC(O)C(CC)c1ccccc1.
What is the InChIKey of 5-phenylhept-1-yn-4-ol?
The InChIKey is UCEUJVXTCPAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-8-13(14)12(4-2)11-9-6-5-7-10-11/h1,5-7,9-10,12-14H,4,8H2,2H3.
What are the key properties of 5-phenylhept-1-yn-4-ol?
5-phenylhept-1-yn-4-ol has a molecular weight of 188.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylhept-1-yn-4-ol is sourced from PubChem (CID 115840091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).