2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran

C17H12O2 — CID 122232359

IUPAC2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran
SMILESC#Cc1cc(OC)ccc1-c1cc2ccccc2o1
InChIInChI=1S/C17H12O2/c1-3-12-10-14(18-2)8-9-15(12)17-11-13-6-4-5-7-16(13)19-17/h1,4-11H,2H3
InChIKeyJXKUYURYOQVOPQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.09
Rot. Bonds2

About 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran

2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran (PubChem CID 122232359) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran
PubChem CID122232359
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran
SMILESC#Cc1cc(OC)ccc1-c1cc2ccccc2o1
InChIInChI=1S/C17H12O2/c1-3-12-10-14(18-2)8-9-15(12)17-11-13-6-4-5-7-16(13)19-17/h1,4-11H,2H3
InChIKeyJXKUYURYOQVOPQ-UHFFFAOYSA-N
XLogP4.09
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.09
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

2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-[6-(1-benzofuran-2-yl)-3,8-bis(4-methoxyphenyl)pyren-1-yl]-1-benzofuran
CID 59390327
2,5-bis(2-ethynyl-4-methoxyphenyl)thiophene
CID 134594148
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
2-(1-benzofuran-2-yl)-6-methoxy-1H-benzimidazole
CID 65017699
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 11381541
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
2-(1-benzofuran-2-yl)-6-methoxyimidazo[1,2-a]pyridine
CID 25014929

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran (CID 122232359) is 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran is C#Cc1cc(OC)ccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran?
The InChIKey is JXKUYURYOQVOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c1-3-12-10-14(18-2)8-9-15(12)17-11-13-6-4-5-7-16(13)19-17/h1,4-11H,2H3.
What are the key properties of 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran?
2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran has a molecular weight of 248.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynyl-4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 122232359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).