7-hexoxy-2-nitro-1-benzofuran

C14H17NO4 — CID 71444466

IUPAC7-hexoxy-2-nitro-1-benzofuran
SMILESCCCCCCOc1cccc2cc([N+](=O)[O-])oc12
InChIInChI=1S/C14H17NO4/c1-2-3-4-5-9-18-12-8-6-7-11-10-13(15(16)17)19-14(11)12/h6-8,10H,2-5,9H2,1H3
InChIKeyVTYQLCWTVONHJL-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.30
Rot. Bonds7

About 7-hexoxy-2-nitro-1-benzofuran

7-hexoxy-2-nitro-1-benzofuran (PubChem CID 71444466) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 7-hexoxy-2-nitro-1-benzofuran.

Molecular Properties

Compound Name7-hexoxy-2-nitro-1-benzofuran
PubChem CID71444466
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name7-hexoxy-2-nitro-1-benzofuran
SMILESCCCCCCOc1cccc2cc([N+](=O)[O-])oc12
InChIInChI=1S/C14H17NO4/c1-2-3-4-5-9-18-12-8-6-7-11-10-13(15(16)17)19-14(11)12/h6-8,10H,2-5,9H2,1H3
InChIKeyVTYQLCWTVONHJL-UHFFFAOYSA-N
XLogP4.30
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3442932

Frequently Asked Questions

What is the IUPAC name of 7-hexoxy-2-nitro-1-benzofuran?
The IUPAC name of 7-hexoxy-2-nitro-1-benzofuran (CID 71444466) is 7-hexoxy-2-nitro-1-benzofuran.
What is the SMILES notation for 7-hexoxy-2-nitro-1-benzofuran?
The canonical SMILES for 7-hexoxy-2-nitro-1-benzofuran is CCCCCCOc1cccc2cc([N+](=O)[O-])oc12.
What is the InChIKey of 7-hexoxy-2-nitro-1-benzofuran?
The InChIKey is VTYQLCWTVONHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-3-4-5-9-18-12-8-6-7-11-10-13(15(16)17)19-14(11)12/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 7-hexoxy-2-nitro-1-benzofuran?
7-hexoxy-2-nitro-1-benzofuran has a molecular weight of 263.29 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexoxy-2-nitro-1-benzofuran is sourced from PubChem (CID 71444466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).