4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol

C15H20O4 — CID 65323848

IUPAC4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOCCOCc1cc(OC)ccc1C#CCCO
InChIInChI=1S/C15H20O4/c1-17-9-10-19-12-14-11-15(18-2)7-6-13(14)5-3-4-8-16/h6-7,11,16H,4,8-10,12H2,1-2H3
InChIKeyFGGRBKVNGLDBRE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds7

About 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol

4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 65323848) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
PubChem CID65323848
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOCCOCc1cc(OC)ccc1C#CCCO
InChIInChI=1S/C15H20O4/c1-17-9-10-19-12-14-11-15(18-2)7-6-13(14)5-3-4-8-16/h6-7,11,16H,4,8-10,12H2,1-2H3
InChIKeyFGGRBKVNGLDBRE-UHFFFAOYSA-N
XLogP1.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-2-(propoxymethyl)phenyl]but-3-yn-1-ol
CID 65323564
4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
CID 65323850
4-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 65322757
4-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323507
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
CID 65322572
4-[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323992
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
4-[4-methoxy-2-(oxolan-3-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323803
4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 65322187
3-[4-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 115942439
3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
1-[[2-(4-hydroxybut-1-ynyl)-5-methoxyphenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379703

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol (CID 65323848) is 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol is COCCOCc1cc(OC)ccc1C#CCCO.
What is the InChIKey of 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is FGGRBKVNGLDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-9-10-19-12-14-11-15(18-2)7-6-13(14)5-3-4-8-16/h6-7,11,16H,4,8-10,12H2,1-2H3.
What are the key properties of 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol?
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 264.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 65323848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).