2-(hydroxymethyl)-4-nitrophenol;propane

C10H15NO4 — CID 142101153

IUPAC2-(hydroxymethyl)-4-nitrophenol;propane
SMILESCCC.O=[N+]([O-])c1ccc(O)c(CO)c1
InChIInChI=1S/C7H7NO4.C3H8/c9-4-5-3-6(8(11)12)1-2-7(5)10;1-3-2/h1-3,9-10H,4H2;3H2,1-2H3
InChIKeyRXGOYSUTCVARNG-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.21
Rot. Bonds2

About 2-(hydroxymethyl)-4-nitrophenol;propane

2-(hydroxymethyl)-4-nitrophenol;propane (PubChem CID 142101153) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-nitrophenol;propane.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-nitrophenol;propane
PubChem CID142101153
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(hydroxymethyl)-4-nitrophenol;propane
SMILESCCC.O=[N+]([O-])c1ccc(O)c(CO)c1
InChIInChI=1S/C7H7NO4.C3H8/c9-4-5-3-6(8(11)12)1-2-7(5)10;1-3-2/h1-3,9-10H,4H2;3H2,1-2H3
InChIKeyRXGOYSUTCVARNG-UHFFFAOYSA-N
XLogP2.21
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
2-ethyl-5-nitrophenol
CID 18980077
4-nitro-2-(propylaminomethyl)phenol
CID 62071273
2-amino-4-nitrophenol;ethanol
CID 174857010
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
(2-iodo-5-nitrophenyl)methanol
CID 118269742
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-nitrophenol;propane?
The IUPAC name of 2-(hydroxymethyl)-4-nitrophenol;propane (CID 142101153) is 2-(hydroxymethyl)-4-nitrophenol;propane.
What is the SMILES notation for 2-(hydroxymethyl)-4-nitrophenol;propane?
The canonical SMILES for 2-(hydroxymethyl)-4-nitrophenol;propane is CCC.O=[N+]([O-])c1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-nitrophenol;propane?
The InChIKey is RXGOYSUTCVARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.C3H8/c9-4-5-3-6(8(11)12)1-2-7(5)10;1-3-2/h1-3,9-10H,4H2;3H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-nitrophenol;propane?
2-(hydroxymethyl)-4-nitrophenol;propane has a molecular weight of 213.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-nitrophenol;propane is sourced from PubChem (CID 142101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).