2-(2,5-dinitrophenyl)propan-1-ol

C9H10N2O5 — CID 22708683

IUPAC2-(2,5-dinitrophenyl)propan-1-ol
SMILESCC(CO)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-6(5-12)8-4-7(10(13)14)2-3-9(8)11(15)16/h2-4,6,12H,5H2,1H3
InChIKeyGUVFZSOXNQEHPN-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.60
Rot. Bonds4

About 2-(2,5-dinitrophenyl)propan-1-ol

2-(2,5-dinitrophenyl)propan-1-ol (PubChem CID 22708683) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(2,5-dinitrophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,5-dinitrophenyl)propan-1-ol
PubChem CID22708683
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-(2,5-dinitrophenyl)propan-1-ol
SMILESCC(CO)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-6(5-12)8-4-7(10(13)14)2-3-9(8)11(15)16/h2-4,6,12H,5H2,1H3
InChIKeyGUVFZSOXNQEHPN-UHFFFAOYSA-N
XLogP1.60
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(5-chloro-2-nitrophenyl)propan-1-ol
CID 10059144
1-[3-(1-hydroxypropan-2-yl)-4-nitrophenyl]hexan-1-one
CID 67094885
4-(1-hydroxypropan-2-yl)-3-nitrobenzoic acid
CID 66583801
1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-4-nitrophenol
CID 14248925
2,4-dinitro-1-pent-4-en-2-ylbenzene
CID 101449695
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
1-(2,5-dinitrophenyl)propyl prop-2-enoate
CID 88709514
(2,5-dinitrophenoxy)methanol
CID 59479964

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dinitrophenyl)propan-1-ol?
The IUPAC name of 2-(2,5-dinitrophenyl)propan-1-ol (CID 22708683) is 2-(2,5-dinitrophenyl)propan-1-ol.
What is the SMILES notation for 2-(2,5-dinitrophenyl)propan-1-ol?
The canonical SMILES for 2-(2,5-dinitrophenyl)propan-1-ol is CC(CO)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-].
What is the InChIKey of 2-(2,5-dinitrophenyl)propan-1-ol?
The InChIKey is GUVFZSOXNQEHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-6(5-12)8-4-7(10(13)14)2-3-9(8)11(15)16/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-(2,5-dinitrophenyl)propan-1-ol?
2-(2,5-dinitrophenyl)propan-1-ol has a molecular weight of 226.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dinitrophenyl)propan-1-ol is sourced from PubChem (CID 22708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).