(5-nitro-2-propan-2-ylphenyl)methanol

C10H13NO3 — CID 118268647

IUPAC(5-nitro-2-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C10H13NO3/c1-7(2)10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,12H,6H2,1-2H3
InChIKeyZMDFRCBPUKAIHF-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.21
Rot. Bonds3

About (5-nitro-2-propan-2-ylphenyl)methanol

(5-nitro-2-propan-2-ylphenyl)methanol (PubChem CID 118268647) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (5-nitro-2-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(5-nitro-2-propan-2-ylphenyl)methanol
PubChem CID118268647
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(5-nitro-2-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C10H13NO3/c1-7(2)10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,12H,6H2,1-2H3
InChIKeyZMDFRCBPUKAIHF-UHFFFAOYSA-N
XLogP2.21
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.21
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

2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
(2-iodo-5-nitrophenyl)methanol
CID 118269742
methyl 4-[(5-nitro-2-propan-2-ylphenyl)methyl]benzoate
CID 25216100
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
(2-but-3-en-2-yloxy-5-nitrophenyl)methanol
CID 62382870
[2-[butan-2-yl(ethyl)amino]-5-nitrophenyl]methanol
CID 43274743
methyl 3-[(5-nitro-2-propan-2-ylphenyl)methyl]benzoate
CID 25216358
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-propan-2-ylphenyl)methanol?
The IUPAC name of (5-nitro-2-propan-2-ylphenyl)methanol (CID 118268647) is (5-nitro-2-propan-2-ylphenyl)methanol.
What is the SMILES notation for (5-nitro-2-propan-2-ylphenyl)methanol?
The canonical SMILES for (5-nitro-2-propan-2-ylphenyl)methanol is CC(C)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of (5-nitro-2-propan-2-ylphenyl)methanol?
The InChIKey is ZMDFRCBPUKAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,12H,6H2,1-2H3.
What are the key properties of (5-nitro-2-propan-2-ylphenyl)methanol?
(5-nitro-2-propan-2-ylphenyl)methanol has a molecular weight of 195.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-propan-2-ylphenyl)methanol is sourced from PubChem (CID 118268647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).