3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol

C15H20O3 — CID 54974909

IUPAC3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESCC(C)OCCOCc1ccccc1C#CCO
InChIInChI=1S/C15H20O3/c1-13(2)18-11-10-17-12-15-7-4-3-6-14(15)8-5-9-16/h3-4,6-7,13,16H,9-12H2,1-2H3
InChIKeyIJPBZLFYTDBSKD-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.97
Rot. Bonds6

About 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol

3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 54974909) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID54974909
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESCC(C)OCCOCc1ccccc1C#CCO
InChIInChI=1S/C15H20O3/c1-13(2)18-11-10-17-12-15-7-4-3-6-14(15)8-5-9-16/h3-4,6-7,13,16H,9-12H2,1-2H3
InChIKeyIJPBZLFYTDBSKD-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448614
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 106448592
2-(2-propan-2-yloxyethoxymethyl)benzenecarbothioamide
CID 24690783
3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 62383396
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
2-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yloxybutyl)benzamide
CID 106005836
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 104564489
4-[2-(2,2-difluoroethoxymethyl)phenyl]but-3-yn-1-ol
CID 82006810
3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969756
3-[2-(oxetan-3-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 102607267
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970255

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol (CID 54974909) is 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol is CC(C)OCCOCc1ccccc1C#CCO.
What is the InChIKey of 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is IJPBZLFYTDBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-13(2)18-11-10-17-12-15-7-4-3-6-14(15)8-5-9-16/h3-4,6-7,13,16H,9-12H2,1-2H3.
What are the key properties of 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol?
3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 248.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propan-2-yloxyethoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54974909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).