2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran

C16H15N3O2 — CID 86599209

IUPAC2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)c1
InChIInChI=1S/C16H15N3O2/c1-20-13-6-2-4-11(8-13)15-7-3-5-12-9-14(10-18-19-17)21-16(12)15/h2-8,14H,9-10H2,1H3
InChIKeyRCRDFTQORFGHNJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.98
Rot. Bonds4

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

2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 86599209) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
PubChem CID86599209
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)c1
InChIInChI=1S/C16H15N3O2/c1-20-13-6-2-4-11(8-13)15-7-3-5-12-9-14(10-18-19-17)21-16(12)15/h2-8,14H,9-10H2,1H3
InChIKeyRCRDFTQORFGHNJ-UHFFFAOYSA-N
XLogP3.98
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
CID 168656497
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
2-(azidomethyl)-5-chloro-7-thiophen-3-yl-2,3-dihydro-1-benzofuran
CID 86599109
[7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599142

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran (CID 86599209) is 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran is COc1cccc(-c2cccc3c2OC(CN=[N+]=[N-])C3)c1.
What is the InChIKey of 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is RCRDFTQORFGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-13-6-2-4-11(8-13)15-7-3-5-12-9-14(10-18-19-17)21-16(12)15/h2-8,14H,9-10H2,1H3.
What are the key properties of 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 281.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).