3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol

C15H20O3 — CID 65323849

IUPAC3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)c(COCC(C)C)c1
InChIInChI=1S/C15H20O3/c1-12(2)10-18-11-14-9-15(17-3)7-6-13(14)5-4-8-16/h6-7,9,12,16H,8,10-11H2,1-3H3
InChIKeyRIFYLYVNRZYITL-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.21
Rot. Bonds5

About 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol

3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 65323849) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID65323849
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)c(COCC(C)C)c1
InChIInChI=1S/C15H20O3/c1-12(2)10-18-11-14-9-15(17-3)7-6-13(14)5-4-8-16/h6-7,9,12,16H,8,10-11H2,1-3H3
InChIKeyRIFYLYVNRZYITL-UHFFFAOYSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.21
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

4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
CID 65323850
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
3-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 65323471
3-[4-methoxy-2-(propan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 65323426
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
4-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 65322757
3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802
3-[2-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448614
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323848
4-[4-methoxy-2-(propoxymethyl)phenyl]but-3-yn-1-ol
CID 65323564
3-[4-methoxy-2-(2-methylbutylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 107754558
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol (CID 65323849) is 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol is COc1ccc(C#CCO)c(COCC(C)C)c1.
What is the InChIKey of 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is RIFYLYVNRZYITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(2)10-18-11-14-9-15(17-3)7-6-13(14)5-4-8-16/h6-7,9,12,16H,8,10-11H2,1-3H3.
What are the key properties of 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol?
3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65323849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).