1-(4-iodo-2-nitrophenyl)propan-1-ol

C9H10INO3 — CID 66830956

IUPAC1-(4-iodo-2-nitrophenyl)propan-1-ol
SMILESCCC(O)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10INO3/c1-2-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5,9,12H,2H2,1H3
InChIKeyOUHXNNBLOOJLBY-UHFFFAOYSA-N
MW307.09 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-iodo-2-nitrophenyl)propan-1-ol

1-(4-iodo-2-nitrophenyl)propan-1-ol (PubChem CID 66830956) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 1-(4-iodo-2-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-iodo-2-nitrophenyl)propan-1-ol
PubChem CID66830956
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name1-(4-iodo-2-nitrophenyl)propan-1-ol
SMILESCCC(O)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10INO3/c1-2-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5,9,12H,2H2,1H3
InChIKeyOUHXNNBLOOJLBY-UHFFFAOYSA-N
XLogP2.64
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-(4-iodo-2-nitrophenyl)butan-2-amine
CID 66080762
2-(4-iodo-2-nitrophenyl)-4,4-dimethylpentanoic acid
CID 70467899
1-(2-chloro-4-methylpentan-3-yl)-4-iodo-2-nitrobenzene
CID 66081366
1-(4-iodo-2-nitroanilino)pentan-3-ol
CID 115702114
1-(2-bromobutyl)-4-iodo-2-nitrobenzene
CID 66079983
4-iodo-2-nitro-N-(1-phenylpropyl)aniline
CID 66066089
1-butan-2-yl-4-methyl-2-nitrobenzene
CID 58516403
4-iodo-N-(3-methylpentan-2-yl)-2-nitroaniline
CID 66065681
4-(4-iodo-N-methyl-2-nitroanilino)butan-2-ol
CID 115658302
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
4-iodo-2-nitro-N-propylbenzamide
CID 103517400
2-(4-iodo-2-nitrophenyl)sulfanylacetic acid
CID 66065651

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-nitrophenyl)propan-1-ol?
The IUPAC name of 1-(4-iodo-2-nitrophenyl)propan-1-ol (CID 66830956) is 1-(4-iodo-2-nitrophenyl)propan-1-ol.
What is the SMILES notation for 1-(4-iodo-2-nitrophenyl)propan-1-ol?
The canonical SMILES for 1-(4-iodo-2-nitrophenyl)propan-1-ol is CCC(O)c1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-iodo-2-nitrophenyl)propan-1-ol?
The InChIKey is OUHXNNBLOOJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c1-2-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5,9,12H,2H2,1H3.
What are the key properties of 1-(4-iodo-2-nitrophenyl)propan-1-ol?
1-(4-iodo-2-nitrophenyl)propan-1-ol has a molecular weight of 307.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-nitrophenyl)propan-1-ol is sourced from PubChem (CID 66830956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).