2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene

C26H22O4 — CID 102082039

IUPAC2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C#Cc2ccc(C#Cc3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H22O4/c1-27-23-13-15-25(29-3)21(17-23)11-9-19-5-7-20(8-6-19)10-12-22-18-24(28-2)14-16-26(22)30-4/h5-8,13-18H,1-4H3
InChIKeyQFSITZNYJAHOOI-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.52
Rot. Bonds4

About 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene

2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene (PubChem CID 102082039) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
PubChem CID102082039
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C#Cc2ccc(C#Cc3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H22O4/c1-27-23-13-15-25(29-3)21(17-23)11-9-19-5-7-20(8-6-19)10-12-22-18-24(28-2)14-16-26(22)30-4/h5-8,13-18H,1-4H3
InChIKeyQFSITZNYJAHOOI-UHFFFAOYSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]-1,1-dimethyl-3,4,5-triphenylsilole
CID 139257273
1,2-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-5-methylsulfanylbenzene
CID 102261966
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
2-methoxy-5-[2-(4-methoxyphenyl)ethynyl]cyclohepta-2,4,6-trien-1-one
CID 102256695
4-chloro-1-methoxy-2-(2-phenylethynyl)benzene
CID 72711446
4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene
CID 142297569
1-methoxy-4-phenyl-2-(2-phenylethynyl)benzene
CID 68910717
6-[2-(3,4-dimethoxyphenyl)ethynyl]-7-[2-(4-methoxyphenyl)ethynyl]-2,3-dihydro-1,4-benzodioxine
CID 170457038
4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene
CID 102261973
2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine
CID 171920307
2-[2-[2,5-dibutoxy-4-[2-[2,5-dibutoxy-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-6-methoxynaphthalene
CID 102449941
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene (CID 102082039) is 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C#Cc2ccc(C#Cc3cc(OC)ccc3OC)cc2)c1.
What is the InChIKey of 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene?
The InChIKey is QFSITZNYJAHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-27-23-13-15-25(29-3)21(17-23)11-9-19-5-7-20(8-6-19)10-12-22-18-24(28-2)14-16-26(22)30-4/h5-8,13-18H,1-4H3.
What are the key properties of 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene?
2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene has a molecular weight of 398.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 102082039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).