1-phenyltetradec-13-en-1-yn-4-ol

C20H28O — CID 101070009

IUPAC1-phenyltetradec-13-en-1-yn-4-ol
SMILESC=CCCCCCCCCC(O)CC#Cc1ccccc1
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-7-8-12-17-20(21)18-13-16-19-14-10-9-11-15-19/h2,9-11,14-15,20-21H,1,3-8,12,17-18H2
InChIKeyVAVJWCRZHNPBMV-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.10
Rot. Bonds10

About 1-phenyltetradec-13-en-1-yn-4-ol

1-phenyltetradec-13-en-1-yn-4-ol (PubChem CID 101070009) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-phenyltetradec-13-en-1-yn-4-ol.

Molecular Properties

Compound Name1-phenyltetradec-13-en-1-yn-4-ol
PubChem CID101070009
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-phenyltetradec-13-en-1-yn-4-ol
SMILESC=CCCCCCCCCC(O)CC#Cc1ccccc1
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-7-8-12-17-20(21)18-13-16-19-14-10-9-11-15-19/h2,9-11,14-15,20-21H,1,3-8,12,17-18H2
InChIKeyVAVJWCRZHNPBMV-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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10-hydroxy-12-phenyldodec-11-ynal
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undec-10-en-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-phenyltetradec-13-en-1-yn-4-ol?
The IUPAC name of 1-phenyltetradec-13-en-1-yn-4-ol (CID 101070009) is 1-phenyltetradec-13-en-1-yn-4-ol.
What is the SMILES notation for 1-phenyltetradec-13-en-1-yn-4-ol?
The canonical SMILES for 1-phenyltetradec-13-en-1-yn-4-ol is C=CCCCCCCCCC(O)CC#Cc1ccccc1.
What is the InChIKey of 1-phenyltetradec-13-en-1-yn-4-ol?
The InChIKey is VAVJWCRZHNPBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-2-3-4-5-6-7-8-12-17-20(21)18-13-16-19-14-10-9-11-15-19/h2,9-11,14-15,20-21H,1,3-8,12,17-18H2.
What are the key properties of 1-phenyltetradec-13-en-1-yn-4-ol?
1-phenyltetradec-13-en-1-yn-4-ol has a molecular weight of 284.44 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltetradec-13-en-1-yn-4-ol is sourced from PubChem (CID 101070009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).