1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene

C20H18O3 — CID 23179954

IUPAC1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
SMILESC#CC(OC(C#C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H18O3/c1-5-19(15-7-11-17(21-3)12-8-15)23-20(6-2)16-9-13-18(22-4)14-10-16/h1-2,7-14,19-20H,3-4H3
InChIKeyXDIPFUBQOYBYBE-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.77
Rot. Bonds6

About 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene

1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene (PubChem CID 23179954) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
PubChem CID23179954
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
SMILESC#CC(OC(C#C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H18O3/c1-5-19(15-7-11-17(21-3)12-8-15)23-20(6-2)16-9-13-18(22-4)14-10-16/h1-2,7-14,19-20H,3-4H3
InChIKeyXDIPFUBQOYBYBE-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene (CID 23179954) is 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene is C#CC(OC(C#C)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene?
The InChIKey is XDIPFUBQOYBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-5-19(15-7-11-17(21-3)12-8-15)23-20(6-2)16-9-13-18(22-4)14-10-16/h1-2,7-14,19-20H,3-4H3.
What are the key properties of 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene?
1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene has a molecular weight of 306.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[1-(4-methoxyphenyl)prop-2-ynoxy]prop-2-ynyl]benzene is sourced from PubChem (CID 23179954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).