2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran

C16H15N3O — CID 86599211

IUPAC2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)cc1
InChIInChI=1S/C16H15N3O/c1-11-5-7-12(8-6-11)15-4-2-3-13-9-14(10-18-19-17)20-16(13)15/h2-8,14H,9-10H2,1H3
InChIKeySWVIFFWYXKDQJA-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.28
Rot. Bonds3

About 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran

2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 86599211) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID86599211
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)cc1
InChIInChI=1S/C16H15N3O/c1-11-5-7-12(8-6-11)15-4-2-3-13-9-14(10-18-19-17)20-16(13)15/h2-8,14H,9-10H2,1H3
InChIKeySWVIFFWYXKDQJA-UHFFFAOYSA-N
XLogP4.28
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.28
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-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
CID 86599266
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 125485635
2-(azidomethyl)-7-(5-chloro-2-methylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 86604656
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran (CID 86599211) is 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran is Cc1ccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)cc1.
What is the InChIKey of 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is SWVIFFWYXKDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-5-7-12(8-6-11)15-4-2-3-13-9-14(10-18-19-17)20-16(13)15/h2-8,14H,9-10H2,1H3.
What are the key properties of 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 265.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).