1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol

C18H26O — CID 146003373

IUPAC1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol
SMILESCCCCCCC(C)(O)C#Cc1ccc(CC)cc1
InChIInChI=1S/C18H26O/c1-4-6-7-8-14-18(3,19)15-13-17-11-9-16(5-2)10-12-17/h9-12,19H,4-8,14H2,1-3H3
InChIKeyDFSUAGQIFAZMBM-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.32
Rot. Bonds6

About 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol

1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol (PubChem CID 146003373) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol
PubChem CID146003373
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol
SMILESCCCCCCC(C)(O)C#Cc1ccc(CC)cc1
InChIInChI=1S/C18H26O/c1-4-6-7-8-14-18(3,19)15-13-17-11-9-16(5-2)10-12-17/h9-12,19H,4-8,14H2,1-3H3
InChIKeyDFSUAGQIFAZMBM-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.32
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

3-methyl-1-(4-phenylphenyl)non-1-yn-3-ol
CID 146002729
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
carbon dioxide;4-(4-ethylphenyl)-2-methylbut-3-yn-2-ol
CID 158504494
1-(4-fluoro-2-methylphenyl)-3-methylnon-1-yn-3-ol
CID 146003484
1,4-diethylbenzene;heptane
CID 175370860
4-[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]-2-methylbut-3-yn-2-ol
CID 3989767
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
CID 134971976
CID 134971976
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
1-[3,4-difluoro-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]-4-hexylbenzene
CID 54055732
5-[2-(4-phenylphenyl)ethynyl]nonan-5-ol
CID 170548879

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol (CID 146003373) is 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol is CCCCCCC(C)(O)C#Cc1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol?
The InChIKey is DFSUAGQIFAZMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-4-6-7-8-14-18(3,19)15-13-17-11-9-16(5-2)10-12-17/h9-12,19H,4-8,14H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol?
1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol has a molecular weight of 258.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methylnon-1-yn-3-ol is sourced from PubChem (CID 146003373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).