4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol

C17H22O3 — CID 106203810

IUPAC4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1cccc(OCCOCCC2CC2)c1
InChIInChI=1S/C17H22O3/c18-10-2-1-4-16-5-3-6-17(14-16)20-13-12-19-11-9-15-7-8-15/h3,5-6,14-15,18H,2,7-13H2
InChIKeyFUAPDWJPTYBSKT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.62
Rot. Bonds8

About 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol

4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol (PubChem CID 106203810) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
PubChem CID106203810
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1cccc(OCCOCCC2CC2)c1
InChIInChI=1S/C17H22O3/c18-10-2-1-4-16-5-3-6-17(14-16)20-13-12-19-11-9-15-7-8-15/h3,5-6,14-15,18H,2,7-13H2
InChIKeyFUAPDWJPTYBSKT-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.62
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-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
4-(3-heptoxyphenyl)but-3-yn-1-ol
CID 54923421
4-(3-hexoxyphenyl)but-3-yn-1-ol
CID 54923468
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
4-[3-(3-phenylpropoxy)phenyl]but-3-yn-1-ol
CID 60800438
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
4-[3-(2-propan-2-ylsulfanylethoxy)phenyl]but-3-yn-1-ol
CID 54975022
3-[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 106203786
4-[3-[2-(3-methoxypropylsulfanyl)ethoxy]phenyl]but-3-yn-1-ol
CID 63855411
1-(2-butoxyethoxy)-3-(3-chloroprop-1-ynyl)benzene
CID 54956194

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol (CID 106203810) is 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol is OCCC#Cc1cccc(OCCOCCC2CC2)c1.
What is the InChIKey of 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol?
The InChIKey is FUAPDWJPTYBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-10-2-1-4-16-5-3-6-17(14-16)20-13-12-19-11-9-15-7-8-15/h3,5-6,14-15,18H,2,7-13H2.
What are the key properties of 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol?
4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 106203810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).