3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol

C14H18O3 — CID 60800596

IUPAC3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
SMILESCCOCCOc1ccc(C)cc1C#CCO
InChIInChI=1S/C14H18O3/c1-3-16-9-10-17-14-7-6-12(2)11-13(14)5-4-8-15/h6-7,11,15H,3,8-10H2,1-2H3
InChIKeyHHYZUMPCOLRTRP-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.75
Rot. Bonds5

About 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol

3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol (PubChem CID 60800596) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
PubChem CID60800596
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
SMILESCCOCCOc1ccc(C)cc1C#CCO
InChIInChI=1S/C14H18O3/c1-3-16-9-10-17-14-7-6-12(2)11-13(14)5-4-8-15/h6-7,11,15H,3,8-10H2,1-2H3
InChIKeyHHYZUMPCOLRTRP-UHFFFAOYSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.75
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

2-(3-chloroprop-1-ynyl)-1-(2-ethoxyethoxy)-4-methylbenzene
CID 55025075
4-[2-(3-ethoxypropoxy)-5-methylphenyl]but-3-yn-1-ol
CID 65180661
3-[2-(2-ethylsulfonylethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 54914350
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylphenyl]prop-2-yn-1-ol
CID 170966287
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60800065
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
4-[2-(2-fluoroethoxy)-5-methylphenyl]but-3-yn-1-ol
CID 80694141
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol (CID 60800596) is 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol is CCOCCOc1ccc(C)cc1C#CCO.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol?
The InChIKey is HHYZUMPCOLRTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-16-9-10-17-14-7-6-12(2)11-13(14)5-4-8-15/h6-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol?
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60800596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).