3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol

C13H16O3 — CID 65323748

IUPAC3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
SMILESCCOCc1cc(OC)ccc1C#CCO
InChIInChI=1S/C13H16O3/c1-3-16-10-12-9-13(15-2)7-6-11(12)5-4-8-14/h6-7,9,14H,3,8,10H2,1-2H3
InChIKeyXJCKQBXIDXUQMN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.58
Rot. Bonds4

About 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol

3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol (PubChem CID 65323748) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
PubChem CID65323748
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
SMILESCCOCc1cc(OC)ccc1C#CCO
InChIInChI=1S/C13H16O3/c1-3-16-10-12-9-13(15-2)7-6-11(12)5-4-8-14/h6-7,9,14H,3,8,10H2,1-2H3
InChIKeyXJCKQBXIDXUQMN-UHFFFAOYSA-N
XLogP1.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
3-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 65323471
4-[4-methoxy-2-(propoxymethyl)phenyl]but-3-yn-1-ol
CID 65323564
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323848
3-[4-methoxy-2-(propan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 65323426
4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
CID 65323850
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688
3-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65324048
3-[4-methoxy-2-(2-methylbutylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 107754558
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol (CID 65323748) is 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol is CCOCc1cc(OC)ccc1C#CCO.
What is the InChIKey of 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol?
The InChIKey is XJCKQBXIDXUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-16-10-12-9-13(15-2)7-6-11(12)5-4-8-14/h6-7,9,14H,3,8,10H2,1-2H3.
What are the key properties of 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol?
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65323748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).