1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene

C24H18O2 — CID 11313747

IUPAC1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
SMILESCOc1ccccc1C#Cc1ccccc1C#Cc1ccccc1OC
InChIInChI=1S/C24H18O2/c1-25-23-13-7-5-11-21(23)17-15-19-9-3-4-10-20(19)16-18-22-12-6-8-14-24(22)26-2/h3-14H,1-2H3
InChIKeyUPKOWKBDKQMHBY-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.50
Rot. Bonds2

About 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene

1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene (PubChem CID 11313747) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
PubChem CID11313747
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
SMILESCOc1ccccc1C#Cc1ccccc1C#Cc1ccccc1OC
InChIInChI=1S/C24H18O2/c1-25-23-13-7-5-11-21(23)17-15-19-9-3-4-10-20(19)16-18-22-12-6-8-14-24(22)26-2/h3-14H,1-2H3
InChIKeyUPKOWKBDKQMHBY-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.50
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-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
2-(2-methoxyphenyl)ethynyl-phenyliodanium
CID 71725486
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
2-[2-[2-methoxy-4-[2-[2-methoxy-4-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzonitrile
CID 102074899
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
1-(3-chloro-3-methylbut-1-ynyl)-2-methoxybenzene
CID 130055802
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
2-(2-methoxyphenyl)ethynesulfonyl fluoride
CID 162408413
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene?
The IUPAC name of 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene (CID 11313747) is 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene.
What is the SMILES notation for 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene?
The canonical SMILES for 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene is COc1ccccc1C#Cc1ccccc1C#Cc1ccccc1OC.
What is the InChIKey of 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene?
The InChIKey is UPKOWKBDKQMHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-25-23-13-7-5-11-21(23)17-15-19-9-3-4-10-20(19)16-18-22-12-6-8-14-24(22)26-2/h3-14H,1-2H3.
What are the key properties of 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene?
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene has a molecular weight of 338.41 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene is sourced from PubChem (CID 11313747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).