3-(3-nitrophenyl)propan-1-ol

C9H11NO3 — CID 11332842

IUPAC3-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCCO)c1
InChIInChI=1S/C9H11NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11H,2,4,6H2
InChIKeyULRDXMHMSLAYDJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.52
Rot. Bonds4

About 3-(3-nitrophenyl)propan-1-ol

3-(3-nitrophenyl)propan-1-ol (PubChem CID 11332842) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(3-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-nitrophenyl)propan-1-ol
PubChem CID11332842
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCCO)c1
InChIInChI=1S/C9H11NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11H,2,4,6H2
InChIKeyULRDXMHMSLAYDJ-UHFFFAOYSA-N
XLogP1.52
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Nitrobenzyl alcohol
CID 69275
4-Nitrophenethyl alcohol
CID 7494
2-Nitrophenethyl alcohol
CID 27054
3-Nitrobenzyl alcohol
CID 69267
2-Nitrobenzyl alcohol
CID 11923
3-Nitrostyrene
CID 68514
(1S)-1-(4-nitrophenyl)ethan-1-ol
CID 9815318
1-(2-Nitrophenyl)ethanol
CID 97851
alpha-Methyl-3-nitrobenzenemethanol
CID 223135
3-Nitrophenylethyl alcohol
CID 104058
2-Propen-1-ol, 3-(4-nitrophenyl)-
CID 5462894
2-Methyl-3-nitrobenzyl alcohol
CID 90289

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)propan-1-ol?
The IUPAC name of 3-(3-nitrophenyl)propan-1-ol (CID 11332842) is 3-(3-nitrophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-nitrophenyl)propan-1-ol?
The canonical SMILES for 3-(3-nitrophenyl)propan-1-ol is O=[N+]([O-])c1cccc(CCCO)c1.
What is the InChIKey of 3-(3-nitrophenyl)propan-1-ol?
The InChIKey is ULRDXMHMSLAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11H,2,4,6H2.
What are the key properties of 3-(3-nitrophenyl)propan-1-ol?
3-(3-nitrophenyl)propan-1-ol has a molecular weight of 181.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)propan-1-ol is sourced from PubChem (CID 11332842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).