2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan

C18H14O — CID 101206946

IUPAC2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
SMILESC#CC(c1ccc(C)o1)c1cccc2ccccc12
InChIInChI=1S/C18H14O/c1-3-15(18-12-11-13(2)19-18)17-10-6-8-14-7-4-5-9-16(14)17/h1,4-12,15H,2H3
InChIKeyYKXBQPQSFDGWSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.51
Rot. Bonds2

About 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan

2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan (PubChem CID 101206946) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan.

Molecular Properties

Compound Name2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
PubChem CID101206946
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
SMILESC#CC(c1ccc(C)o1)c1cccc2ccccc12
InChIInChI=1S/C18H14O/c1-3-15(18-12-11-13(2)19-18)17-10-6-8-14-7-4-5-9-16(14)17/h1,4-12,15H,2H3
InChIKeyYKXBQPQSFDGWSD-UHFFFAOYSA-N
XLogP4.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan?
The IUPAC name of 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan (CID 101206946) is 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan.
What is the SMILES notation for 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan?
The canonical SMILES for 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan is C#CC(c1ccc(C)o1)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan?
The InChIKey is YKXBQPQSFDGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-3-15(18-12-11-13(2)19-18)17-10-6-8-14-7-4-5-9-16(14)17/h1,4-12,15H,2H3.
What are the key properties of 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan?
2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan has a molecular weight of 246.31 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan is sourced from PubChem (CID 101206946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).