4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol

C13H16O3 — CID 65369770

IUPAC4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
SMILESCCOCOc1cccc(C#CCCO)c1
InChIInChI=1S/C13H16O3/c1-2-15-11-16-13-8-5-7-12(10-13)6-3-4-9-14/h5,7-8,10,14H,2,4,9,11H2,1H3
InChIKeySZIKWTMEJUEGDU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.79
Rot. Bonds5

About 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol

4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol (PubChem CID 65369770) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
PubChem CID65369770
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
SMILESCCOCOc1cccc(C#CCCO)c1
InChIInChI=1S/C13H16O3/c1-2-15-11-16-13-8-5-7-12(10-13)6-3-4-9-14/h5,7-8,10,14H,2,4,9,11H2,1H3
InChIKeySZIKWTMEJUEGDU-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
4-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
4-(3-heptoxyphenyl)but-3-yn-1-ol
CID 54923421
4-(3-hexoxyphenyl)but-3-yn-1-ol
CID 54923468
4-[3-[2-(3-methoxypropylsulfanyl)ethoxy]phenyl]but-3-yn-1-ol
CID 63855411
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
4-(3-butan-2-yloxyphenyl)but-3-yn-1-ol
CID 60802171
4-[3-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 60801313
4-[3-(2-propan-2-ylsulfanylethoxy)phenyl]but-3-yn-1-ol
CID 54975022
4-[3-(3-phenylpropoxy)phenyl]but-3-yn-1-ol
CID 60800438
4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 106203810
1-(4-chlorobut-1-ynyl)-3-(methoxymethoxy)benzene
CID 65364467

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol (CID 65369770) is 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol is CCOCOc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol?
The InChIKey is SZIKWTMEJUEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-11-16-13-8-5-7-12(10-13)6-3-4-9-14/h5,7-8,10,14H,2,4,9,11H2,1H3.
What are the key properties of 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol?
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 65369770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).