(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol

C19H22O — CID 51031562

IUPAC(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
SMILESCCCCCCC#C/C=C\C#CC(O)c1ccccc1
InChIInChI=1S/C19H22O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h9-13,15-16,19-20H,2-6H2,1H3/b10-9-
InChIKeyBHVLAASEJMPIBP-KTKRTIGZSA-N
MW266.38 g/mol
LogP4.25
Rot. Bonds5

About (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol

(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol (PubChem CID 51031562) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol.

Molecular Properties

Compound Name(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
PubChem CID51031562
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
SMILESCCCCCCC#C/C=C\C#CC(O)c1ccccc1
InChIInChI=1S/C19H22O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h9-13,15-16,19-20H,2-6H2,1H3/b10-9-
InChIKeyBHVLAASEJMPIBP-KTKRTIGZSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.25
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'}

Analyze (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
CID 11029274
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
[(E)-dodec-1-en-3-ynyl]benzene
CID 101385247
[(Z)-1-methoxydec-2-en-4-ynyl]benzene
CID 101124945
(1R,7R,8R)-1-phenylpentadeca-2,4-diyne-1,7,8-triol
CID 46185433
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
tridec-1-ynylbenzene
CID 19991064
2-methyldec-3-ynylbenzene
CID 102174838
methyl 1-phenyloct-2-ynyl carbonate
CID 11054408
ethane;non-1-ynylbenzene
CID 143616673
3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
CID 130122146

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol?
The IUPAC name of (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol (CID 51031562) is (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol.
What is the SMILES notation for (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol?
The canonical SMILES for (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol is CCCCCCC#C/C=C\C#CC(O)c1ccccc1.
What is the InChIKey of (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol?
The InChIKey is BHVLAASEJMPIBP-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H22O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h9-13,15-16,19-20H,2-6H2,1H3/b10-9-.
What are the key properties of (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol?
(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol has a molecular weight of 266.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyltridec-4-en-2,6-diyn-1-ol is sourced from PubChem (CID 51031562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).