1-(3-iodopropoxy)-4-nitrobenzene

C9H10INO3 — CID 15675890

IUPAC1-(3-iodopropoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCCI)cc1
InChIInChI=1S/C9H10INO3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7H2
InChIKeyBUFWPKOFBCRZLO-UHFFFAOYSA-N
MW307.09 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-iodopropoxy)-4-nitrobenzene

1-(3-iodopropoxy)-4-nitrobenzene (PubChem CID 15675890) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 1-(3-iodopropoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(3-iodopropoxy)-4-nitrobenzene
PubChem CID15675890
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name1-(3-iodopropoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCCI)cc1
InChIInChI=1S/C9H10INO3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7H2
InChIKeyBUFWPKOFBCRZLO-UHFFFAOYSA-N
XLogP2.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
1-nitro-4-octadecoxybenzene
CID 4258205
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
3-(4-nitrophenoxy)propanoate
CID 6993075
1-nitro-4-(4-pentoxyphenyl)benzene
CID 4261688
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
2-(4-nitrophenoxy)ethyl formate
CID 91696305
1-[ethyl(3-iodopropoxy)phosphoryl]oxy-4-nitrobenzene
CID 71580000
2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodopropoxy)-4-nitrobenzene?
The IUPAC name of 1-(3-iodopropoxy)-4-nitrobenzene (CID 15675890) is 1-(3-iodopropoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(3-iodopropoxy)-4-nitrobenzene?
The canonical SMILES for 1-(3-iodopropoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OCCCI)cc1.
What is the InChIKey of 1-(3-iodopropoxy)-4-nitrobenzene?
The InChIKey is BUFWPKOFBCRZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7H2.
What are the key properties of 1-(3-iodopropoxy)-4-nitrobenzene?
1-(3-iodopropoxy)-4-nitrobenzene has a molecular weight of 307.09 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodopropoxy)-4-nitrobenzene is sourced from PubChem (CID 15675890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).