3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol

C22H26O — CID 146002729

IUPAC3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol
SMILESCCCCCCC(C)(O)C#Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-3-4-5-9-17-22(2,23)18-16-19-12-14-21(15-13-19)20-10-7-6-8-11-20/h6-8,10-15,23H,3-5,9,17H2,1-2H3
InChIKeyHMNGDFLHRSENFR-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.43
Rot. Bonds6

About 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol

3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol (PubChem CID 146002729) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol.

Molecular Properties

Compound Name3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol
PubChem CID146002729
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol
SMILESCCCCCCC(C)(O)C#Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-3-4-5-9-17-22(2,23)18-16-19-12-14-21(15-13-19)20-10-7-6-8-11-20/h6-8,10-15,23H,3-5,9,17H2,1-2H3
InChIKeyHMNGDFLHRSENFR-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.43
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

5-[2-(4-phenylphenyl)ethynyl]nonan-5-ol
CID 170548879
1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol
CID 146003373
1-(6-methoxynaphthalen-2-yl)-3-methylnon-1-yn-3-ol
CID 146003590
(10S,13S)-10,13-dimethyldocos-11-yne-10,13-diol
CID 92854568
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
ethyl 6-hydroxy-6-methyl-8-phenyloct-7-ynoate
CID 10061912
1,1'-biphenyl;hexadecane
CID 173308514
1-(4-phenylphenyl)oct-1-yn-3-ol
CID 146002722
1-(4-fluoro-2-methylphenyl)-3-methylnon-1-yn-3-ol
CID 146003484
4-[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]-2-methylbut-3-yn-2-ol
CID 3989767
CID 134971976
CID 134971976
benzene;heptane;hexane;toluene
CID 160959480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol?
The IUPAC name of 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol (CID 146002729) is 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol.
What is the SMILES notation for 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol?
The canonical SMILES for 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol is CCCCCCC(C)(O)C#Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol?
The InChIKey is HMNGDFLHRSENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-3-4-5-9-17-22(2,23)18-16-19-12-14-21(15-13-19)20-10-7-6-8-11-20/h6-8,10-15,23H,3-5,9,17H2,1-2H3.
What are the key properties of 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol?
3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol has a molecular weight of 306.45 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol is sourced from PubChem (CID 146002729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).