[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol

C13H20N2O4 — CID 146342782

IUPAC[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol
SMILESCC(N)CC(C)(C)Oc1ccc([N+](=O)[O-])c(CO)c1
InChIInChI=1S/C13H20N2O4/c1-9(14)7-13(2,3)19-11-4-5-12(15(17)18)10(6-11)8-16/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyLTCNHYIZXFPNOW-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.98
Rot. Bonds6

About [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol

[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol (PubChem CID 146342782) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol
PubChem CID146342782
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol
SMILESCC(N)CC(C)(C)Oc1ccc([N+](=O)[O-])c(CO)c1
InChIInChI=1S/C13H20N2O4/c1-9(14)7-13(2,3)19-11-4-5-12(15(17)18)10(6-11)8-16/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyLTCNHYIZXFPNOW-UHFFFAOYSA-N
XLogP1.98
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-nitro-5-(4-nitrophenoxy)phenyl]methanol
CID 106546897
[5-[3-(4-methylphenoxy)propoxy]-2-nitrophenyl]methanol
CID 135019688
[2-nitro-4-(trifluoromethoxy)phenyl]methanol
CID 171028713
3-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol
CID 89442409
methane;5-methoxy-2-nitrobenzaldehyde;(5-methoxy-2-nitrophenyl)methanol
CID 160701549
5-(2-methylbutan-2-yloxy)-2-nitrobenzonitrile
CID 113324293
[5-(3-methylbutylsulfanyl)-2-nitrophenyl]methanol
CID 114057972
[5-[2,4-dimethyl-4-[4-(2-methylpropyl)triazol-1-yl]pentan-2-yl]oxy-2-nitrophenyl]methyl acetate;ethane
CID 144731863
1-[3-(hydroxymethyl)-4-nitrophenyl]-4-(methylamino)butane-1,2-diol
CID 171890926
3-[(2R)-2-aminopropyl]-4-nitroaniline
CID 130744258
2-nitro-1,4-bis(2,4,4-trimethylpentan-2-yloxy)benzene
CID 139627495
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol?
The IUPAC name of [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol (CID 146342782) is [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol.
What is the SMILES notation for [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol?
The canonical SMILES for [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol is CC(N)CC(C)(C)Oc1ccc([N+](=O)[O-])c(CO)c1.
What is the InChIKey of [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol?
The InChIKey is LTCNHYIZXFPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(14)7-13(2,3)19-11-4-5-12(15(17)18)10(6-11)8-16/h4-6,9,16H,7-8,14H2,1-3H3.
What are the key properties of [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol?
[5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol has a molecular weight of 268.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-methylpentan-2-yl)oxy-2-nitrophenyl]methanol is sourced from PubChem (CID 146342782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).