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

C15H20O3 — CID 83134632

IUPAC4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
SMILESCCOCCOc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C15H20O3/c1-3-17-10-11-18-15-8-7-14(13(2)12-15)6-4-5-9-16/h7-8,12,16H,3,5,9-11H2,1-2H3
InChIKeyQJJAYJYKGBBHHV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.14
Rot. Bonds6

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

4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol (PubChem CID 83134632) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
PubChem CID83134632
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
SMILESCCOCCOc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C15H20O3/c1-3-17-10-11-18-15-8-7-14(13(2)12-15)6-4-5-9-16/h7-8,12,16H,3,5,9-11H2,1-2H3
InChIKeyQJJAYJYKGBBHHV-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(4-hexoxy-2-methylphenyl)but-3-yn-1-ol
CID 83135333
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
4-[2-methyl-4-(2-methylbutoxy)phenyl]but-3-yn-1-ol
CID 83135257
1-(3-chloroprop-1-ynyl)-4-(3-ethoxypropoxy)-2-methylbenzene
CID 83134400
4-[[4-(4-hydroxybut-1-ynyl)-3-methylphenoxy]methyl]phenol
CID 83137384
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
CID 83134790
1-(4-chlorobut-1-ynyl)-4-(ethoxymethoxy)-2-methylbenzene
CID 83135043
4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83137393
1-(4-chlorobut-1-ynyl)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]benzene
CID 106455495
3-(4-hexoxy-2-methylphenyl)prop-2-yn-1-ol
CID 83135099
N-(2-ethoxyethyl)-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 60844907
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol (CID 83134632) is 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol is CCOCCOc1ccc(C#CCCO)c(C)c1.
What is the InChIKey of 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol?
The InChIKey is QJJAYJYKGBBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-17-10-11-18-15-8-7-14(13(2)12-15)6-4-5-9-16/h7-8,12,16H,3,5,9-11H2,1-2H3.
What are the key properties of 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol?
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol is sourced from PubChem (CID 83134632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).