1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene

C18H14O2 — CID 59710741

IUPAC1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene
SMILESCOC#Cc1ccc(-c2ccc(C#COC)cc2)cc1
InChIInChI=1S/C18H14O2/c1-19-13-11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14-20-2/h3-10H,1-2H3
InChIKeyOECFMADKHFZHLX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.26
Rot. Bonds1

About 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene

1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene (PubChem CID 59710741) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene
PubChem CID59710741
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene
SMILESCOC#Cc1ccc(-c2ccc(C#COC)cc2)cc1
InChIInChI=1S/C18H14O2/c1-19-13-11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14-20-2/h3-10H,1-2H3
InChIKeyOECFMADKHFZHLX-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethynyl]-4-phenylbenzene
CID 102338095
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
1,4-bis(prop-1-ynyl)benzene;but-2-yne;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-prop-1-ynylbenzene);bis(1-methyl-4-(4-prop-1-ynylphenyl)benzene);1,4-xylene
CID 159451604
1-bromo-4-(4-prop-1-ynylphenyl)benzene
CID 19013796
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
CID 101073094
4-[4-[4-[4-(4-cyanophenyl)phenyl]buta-1,3-diynyl]phenyl]benzonitrile
CID 71530971
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
1-methyl-4-[4-(3-methylbut-3-en-1-ynyl)phenyl]benzene
CID 143070366
1-(3-methoxyprop-1-ynyl)-4-methylbenzene
CID 15241990

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene?
The IUPAC name of 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene (CID 59710741) is 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene.
What is the SMILES notation for 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene?
The canonical SMILES for 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene is COC#Cc1ccc(-c2ccc(C#COC)cc2)cc1.
What is the InChIKey of 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene?
The InChIKey is OECFMADKHFZHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-19-13-11-15-3-7-17(8-4-15)18-9-5-16(6-10-18)12-14-20-2/h3-10H,1-2H3.
What are the key properties of 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene?
1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene has a molecular weight of 262.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethynyl)-4-[4-(2-methoxyethynyl)phenyl]benzene is sourced from PubChem (CID 59710741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).