1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene

C20H18O4 — CID 146373657

IUPAC1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
SMILESCOCOc1ccc(C#CC#Cc2ccc(OCOC)cc2)cc1
InChIInChI=1S/C20H18O4/c1-21-15-23-19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)24-16-22-2/h7-14H,15-16H2,1-2H3
InChIKeyASAPZSMZDMIBGO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.06
Rot. Bonds6

About 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene

1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene (PubChem CID 146373657) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
PubChem CID146373657
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
SMILESCOCOc1ccc(C#CC#Cc2ccc(OCOC)cc2)cc1
InChIInChI=1S/C20H18O4/c1-21-15-23-19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)24-16-22-2/h7-14H,15-16H2,1-2H3
InChIKeyASAPZSMZDMIBGO-UHFFFAOYSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methoxymethoxy)benzene
CID 542643
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
sodium tetrakis[4-(methoxymethoxy)phenyl]boranuide
CID 177046076
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
[4-(methoxymethoxy)phenyl]-methylsilane
CID 162133771
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
1-decoxy-4-[4-(4-decoxyphenyl)buta-1,3-diynyl]benzene
CID 15184823
2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene
CID 65364529
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
[4-(methoxymethoxy)phenoxy]boronic acid
CID 54191014

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene?
The IUPAC name of 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene (CID 146373657) is 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene.
What is the SMILES notation for 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene?
The canonical SMILES for 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene is COCOc1ccc(C#CC#Cc2ccc(OCOC)cc2)cc1.
What is the InChIKey of 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene?
The InChIKey is ASAPZSMZDMIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-21-15-23-19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)24-16-22-2/h7-14H,15-16H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene?
1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene has a molecular weight of 322.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene is sourced from PubChem (CID 146373657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).