2-nitro-4-propan-2-yloxyphenol

C9H11NO4 — CID 11820026

IUPAC2-nitro-4-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO4/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3
InChIKeyLHFQKMWURJJSKG-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.09
Rot. Bonds3

About 2-nitro-4-propan-2-yloxyphenol

2-nitro-4-propan-2-yloxyphenol (PubChem CID 11820026) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-nitro-4-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-nitro-4-propan-2-yloxyphenol
PubChem CID11820026
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-nitro-4-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11NO4/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3
InChIKeyLHFQKMWURJJSKG-UHFFFAOYSA-N
XLogP2.09
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
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'}

Analyze 2-nitro-4-propan-2-yloxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-nitro-4-propan-2-yloxybenzene
CID 68969048
(4-hydroxy-3-nitrophenyl) 2-methylpentanoate
CID 134497741
2-nitro-4-octan-2-yloxyphenol
CID 22922931
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 135577282
4-[(2R)-2-methoxypropoxy]-2-nitrophenol
CID 170626778
3-fluoro-2-(2-nitro-4-propan-2-yloxyphenyl)sulfanylphenol
CID 18687703
2-nitro-4-phenoxyphenol
CID 10775849
4-(2,2-dichloro-1,1-difluoroethoxy)-2-nitrophenol
CID 154400652
4-[4-(4-hydroxy-3-nitrophenoxy)-2,3,5-trimethylphenoxy]-2-nitrophenol
CID 139938756
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
methyl (2S)-2-amino-2-(4-hydroxy-3-nitrophenyl)acetate
CID 171199968
4-(4-methoxyphenyl)sulfanyl-2-nitrophenol
CID 91879724

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-propan-2-yloxyphenol?
The IUPAC name of 2-nitro-4-propan-2-yloxyphenol (CID 11820026) is 2-nitro-4-propan-2-yloxyphenol.
What is the SMILES notation for 2-nitro-4-propan-2-yloxyphenol?
The canonical SMILES for 2-nitro-4-propan-2-yloxyphenol is CC(C)Oc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-nitro-4-propan-2-yloxyphenol?
The InChIKey is LHFQKMWURJJSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3.
What are the key properties of 2-nitro-4-propan-2-yloxyphenol?
2-nitro-4-propan-2-yloxyphenol has a molecular weight of 197.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-propan-2-yloxyphenol is sourced from PubChem (CID 11820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).