2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran

C17H17N3O — CID 86599266

IUPAC2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
SMILESCCc1cc2c(c(-c3ccccc3)c1)OC(CN=[N+]=[N-])C2
InChIInChI=1S/C17H17N3O/c1-2-12-8-14-10-15(11-19-20-18)21-17(14)16(9-12)13-6-4-3-5-7-13/h3-9,15H,2,10-11H2,1H3
InChIKeyNWWNSCMVGZQTBN-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.53
Rot. Bonds4

About 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran

2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 86599266) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
PubChem CID86599266
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
SMILESCCc1cc2c(c(-c3ccccc3)c1)OC(CN=[N+]=[N-])C2
InChIInChI=1S/C17H17N3O/c1-2-12-8-14-10-15(11-19-20-18)21-17(14)16(9-12)13-6-4-3-5-7-13/h3-9,15H,2,10-11H2,1H3
InChIKeyNWWNSCMVGZQTBN-UHFFFAOYSA-N
XLogP4.53
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
2-(azidomethyl)-5-chloro-7-thiophen-3-yl-2,3-dihydro-1-benzofuran
CID 86599109
2-(azidomethyl)-7-(5-chloro-2-methylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 86604656
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69108472
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
(5,7-diphenyl-2,3-dihydro-1-benzofuran-2-yl)methyl benzenesulfonate
CID 141132393
2-(azidomethyl)-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran
CID 90748480

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran (CID 86599266) is 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran is CCc1cc2c(c(-c3ccccc3)c1)OC(CN=[N+]=[N-])C2.
What is the InChIKey of 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is NWWNSCMVGZQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-12-8-14-10-15(11-19-20-18)21-17(14)16(9-12)13-6-4-3-5-7-13/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 279.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).