1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene

C19H16O — CID 121358913

IUPAC1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
SMILESCC#CC(OC)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C19H16O/c1-3-9-19(20-2)18-13-8-7-12-17(18)15-14-16-10-5-4-6-11-16/h4-8,10-13,19H,1-2H3
InChIKeyDVDZZRPELJCXOF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.80
Rot. Bonds2

About 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene

1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene (PubChem CID 121358913) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene.

Molecular Properties

Compound Name1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
PubChem CID121358913
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
SMILESCC#CC(OC)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C19H16O/c1-3-9-19(20-2)18-13-8-7-12-17(18)15-14-16-10-5-4-6-11-16/h4-8,10-13,19H,1-2H3
InChIKeyDVDZZRPELJCXOF-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-[2-(1-methoxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzene
CID 121348422
1-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 121348435
2-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]naphthalene
CID 121355072
1-[2-(2-phenylethynyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate
CID 102467528
1-(1-methoxy-3-phenylprop-2-ynyl)-4,5-dimethyl-2-(2-phenylethynyl)benzene
CID 121355071
1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
CID 134960735
1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene
CID 135021566
ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine
CID 143629077
[1-(2-cyanophenyl)-3-phenylprop-2-ynyl] methyl carbonate
CID 154719623
tert-butyl-dimethyl-[1-[2-(2-phenylethynyl)phenyl]-5-trimethylsilylpenta-2,4-diynoxy]silane
CID 15401586
prop-1-ynylbenzene
CID 142310164
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene?
The IUPAC name of 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene (CID 121358913) is 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene.
What is the SMILES notation for 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene?
The canonical SMILES for 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene is CC#CC(OC)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene?
The InChIKey is DVDZZRPELJCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-3-9-19(20-2)18-13-8-7-12-17(18)15-14-16-10-5-4-6-11-16/h4-8,10-13,19H,1-2H3.
What are the key properties of 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene?
1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene has a molecular weight of 260.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene is sourced from PubChem (CID 121358913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).