1-phenyldec-1-yn-4-ol

C16H22O — CID 15174596

IUPAC1-phenyldec-1-yn-4-ol
SMILESCCCCCCC(O)CC#Cc1ccccc1
InChIInChI=1S/C16H22O/c1-2-3-4-8-13-16(17)14-9-12-15-10-6-5-7-11-15/h5-7,10-11,16-17H,2-4,8,13-14H2,1H3
InChIKeyXAYOKKCLMUQDLU-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.76
Rot. Bonds6

About 1-phenyldec-1-yn-4-ol

1-phenyldec-1-yn-4-ol (PubChem CID 15174596) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-phenyldec-1-yn-4-ol.

Molecular Properties

Compound Name1-phenyldec-1-yn-4-ol
PubChem CID15174596
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-phenyldec-1-yn-4-ol
SMILESCCCCCCC(O)CC#Cc1ccccc1
InChIInChI=1S/C16H22O/c1-2-3-4-8-13-16(17)14-9-12-15-10-6-5-7-11-15/h5-7,10-11,16-17H,2-4,8,13-14H2,1H3
InChIKeyXAYOKKCLMUQDLU-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.76
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-phenyltetradec-13-en-1-yn-4-ol
CID 101070009
(3S,5R)-1-phenylundec-1-yne-3,5-diol
CID 101380795
1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
CID 10981067
tridec-1-ynylbenzene
CID 19991064
ethane;non-1-ynylbenzene
CID 143616673
2-(5-phenylpenta-2,4-diynyl)octanoic acid
CID 138625702
1-phenoxytetradecan-2-ol
CID 11609222
1-phenylsulfanylundecan-2-ol
CID 65142065
undec-2-yne-1,5-diol
CID 14791778
1,1-diphenyltetradecan-3-ol
CID 102298194
2-hydroxy-13-phenyltridec-12-ynoic acid
CID 71119642
3-pentylundeca-1,4-diynylbenzene
CID 164898944

Frequently Asked Questions

What is the IUPAC name of 1-phenyldec-1-yn-4-ol?
The IUPAC name of 1-phenyldec-1-yn-4-ol (CID 15174596) is 1-phenyldec-1-yn-4-ol.
What is the SMILES notation for 1-phenyldec-1-yn-4-ol?
The canonical SMILES for 1-phenyldec-1-yn-4-ol is CCCCCCC(O)CC#Cc1ccccc1.
What is the InChIKey of 1-phenyldec-1-yn-4-ol?
The InChIKey is XAYOKKCLMUQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-3-4-8-13-16(17)14-9-12-15-10-6-5-7-11-15/h5-7,10-11,16-17H,2-4,8,13-14H2,1H3.
What are the key properties of 1-phenyldec-1-yn-4-ol?
1-phenyldec-1-yn-4-ol has a molecular weight of 230.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldec-1-yn-4-ol is sourced from PubChem (CID 15174596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).