5-phenylundec-6-yn-5-ol

C17H24O — CID 172639655

IUPAC5-phenylundec-6-yn-5-ol
SMILESCCCCC#CC(O)(CCCC)c1ccccc1
InChIInChI=1S/C17H24O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,14H2,1-2H3
InChIKeyZVCXQWCQSGCWDK-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.26
Rot. Bonds6

About 5-phenylundec-6-yn-5-ol

5-phenylundec-6-yn-5-ol (PubChem CID 172639655) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-phenylundec-6-yn-5-ol.

Molecular Properties

Compound Name5-phenylundec-6-yn-5-ol
PubChem CID172639655
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-phenylundec-6-yn-5-ol
SMILESCCCCC#CC(O)(CCCC)c1ccccc1
InChIInChI=1S/C17H24O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,14H2,1-2H3
InChIKeyZVCXQWCQSGCWDK-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylundec-2-yne-1,1-diol
CID 166475568
1-(2-aminophenyl)-1-phenylhept-2-yn-1-ol
CID 23624790
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
2-hept-1-ynyl-2-phenylpropanedioic acid
CID 166475605
4-(4-fluorophenyl)oct-2-yne-1,4-diol;methanamine
CID 158274515
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
4-[(2R)-2-hydroxy-3,3-dimethylnon-4-yn-2-yl]benzonitrile
CID 134960639
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
1,1-diphenylpentan-1-amine
CID 10263654
2-butyl-2-phenylpropane-1,3-diol
CID 79449681

Frequently Asked Questions

What is the IUPAC name of 5-phenylundec-6-yn-5-ol?
The IUPAC name of 5-phenylundec-6-yn-5-ol (CID 172639655) is 5-phenylundec-6-yn-5-ol.
What is the SMILES notation for 5-phenylundec-6-yn-5-ol?
The canonical SMILES for 5-phenylundec-6-yn-5-ol is CCCCC#CC(O)(CCCC)c1ccccc1.
What is the InChIKey of 5-phenylundec-6-yn-5-ol?
The InChIKey is ZVCXQWCQSGCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,14H2,1-2H3.
What are the key properties of 5-phenylundec-6-yn-5-ol?
5-phenylundec-6-yn-5-ol has a molecular weight of 244.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylundec-6-yn-5-ol is sourced from PubChem (CID 172639655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).