1-ethynyl-6-methoxydibenzofuran

C15H10O2 — CID 122592300

IUPAC1-ethynyl-6-methoxydibenzofuran
SMILESC#Cc1cccc2oc3c(OC)cccc3c12
InChIInChI=1S/C15H10O2/c1-3-10-6-4-8-12-14(10)11-7-5-9-13(16-2)15(11)17-12/h1,4-9H,2H3
InChIKeyOCLUWJHSFBCFAV-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.58
Rot. Bonds1

About 1-ethynyl-6-methoxydibenzofuran

1-ethynyl-6-methoxydibenzofuran (PubChem CID 122592300) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-ethynyl-6-methoxydibenzofuran.

Molecular Properties

Compound Name1-ethynyl-6-methoxydibenzofuran
PubChem CID122592300
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name1-ethynyl-6-methoxydibenzofuran
SMILESC#Cc1cccc2oc3c(OC)cccc3c12
InChIInChI=1S/C15H10O2/c1-3-10-6-4-8-12-14(10)11-7-5-9-13(16-2)15(11)17-12/h1,4-9H,2H3
InChIKeyOCLUWJHSFBCFAV-UHFFFAOYSA-N
XLogP3.58
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethynyl-6-methoxydibenzofuran 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

5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 139963293
8-methoxybenzo[a]xanthen-12-one
CID 135193701
2-[2-(9-methoxydibenzofuran-4-yl)phenyl]propan-2-ol
CID 169035329
6-methoxydibenzofuran-4-thiol
CID 23254072
2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
4,6-bis[8-(2-ethynylphenoxy)octoxy]dibenzofuran
CID 25197335
3,4,5-trimethoxychromen-2-one
CID 19930053
4-methoxybenzo[b]oxanthrene-6,11-dione
CID 14811969
1-ethyl-4-methoxydibenzofuran
CID 91030787
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 169035230
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-6-methoxydibenzofuran?
The IUPAC name of 1-ethynyl-6-methoxydibenzofuran (CID 122592300) is 1-ethynyl-6-methoxydibenzofuran.
What is the SMILES notation for 1-ethynyl-6-methoxydibenzofuran?
The canonical SMILES for 1-ethynyl-6-methoxydibenzofuran is C#Cc1cccc2oc3c(OC)cccc3c12.
What is the InChIKey of 1-ethynyl-6-methoxydibenzofuran?
The InChIKey is OCLUWJHSFBCFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c1-3-10-6-4-8-12-14(10)11-7-5-9-13(16-2)15(11)17-12/h1,4-9H,2H3.
What are the key properties of 1-ethynyl-6-methoxydibenzofuran?
1-ethynyl-6-methoxydibenzofuran has a molecular weight of 222.24 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-6-methoxydibenzofuran is sourced from PubChem (CID 122592300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).