4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol

C19H28O2 — CID 83137393

IUPAC4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
SMILESCCCCC(CC)COc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C19H28O2/c1-4-6-9-17(5-2)15-21-19-12-11-18(16(3)14-19)10-7-8-13-20/h11-12,14,17,20H,4-6,8-9,13,15H2,1-3H3
InChIKeyJFTKBPULZDWLLZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.32
Rot. Bonds8

About 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol

4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol (PubChem CID 83137393) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
PubChem CID83137393
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
SMILESCCCCC(CC)COc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C19H28O2/c1-4-6-9-17(5-2)15-21-19-12-11-18(16(3)14-19)10-7-8-13-20/h11-12,14,17,20H,4-6,8-9,13,15H2,1-3H3
InChIKeyJFTKBPULZDWLLZ-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-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

4-[2-methyl-4-(2-methylbutoxy)phenyl]but-3-yn-1-ol
CID 83135257
4-(4-hexoxy-2-methylphenyl)but-3-yn-1-ol
CID 83135333
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83134632
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
4-[[4-(4-hydroxybut-1-ynyl)-3-methylphenoxy]methyl]phenol
CID 83137384
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
CID 83134790
3-(4-hexoxy-2-methylphenyl)prop-2-yn-1-ol
CID 83135099
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
CID 174926465
CID 174926465
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol (CID 83137393) is 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol is CCCCC(CC)COc1ccc(C#CCCO)c(C)c1.
What is the InChIKey of 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol?
The InChIKey is JFTKBPULZDWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-6-9-17(5-2)15-21-19-12-11-18(16(3)14-19)10-7-8-13-20/h11-12,14,17,20H,4-6,8-9,13,15H2,1-3H3.
What are the key properties of 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol?
4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol has a molecular weight of 288.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol is sourced from PubChem (CID 83137393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).