2-butoxy-5-nitrophenol

C10H13NO4 — CID 141158099

IUPAC2-butoxy-5-nitrophenol
SMILESCCCCOc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H13NO4/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyQUSAZPBBDGIVFX-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.48
Rot. Bonds5

About 2-butoxy-5-nitrophenol

2-butoxy-5-nitrophenol (PubChem CID 141158099) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-butoxy-5-nitrophenol.

Molecular Properties

Compound Name2-butoxy-5-nitrophenol
PubChem CID141158099
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-butoxy-5-nitrophenol
SMILESCCCCOc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H13NO4/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyQUSAZPBBDGIVFX-UHFFFAOYSA-N
XLogP2.48
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-2-tetradecoxyphenol
CID 19747178
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
N-[(2-butoxy-5-nitrophenyl)methyl]ethanamine
CID 43472693
1-hexoxy-2-(2-hexoxy-5-nitrophenyl)-4-nitrobenzene
CID 86624358
1-dodecoxy-2,4-dinitrobenzene
CID 101149819
2-decoxy-5-nitrobenzaldehyde
CID 25058968
2-[2-(2-butoxyethoxy)ethoxy]-5-nitroaniline
CID 70583822
2-(butoxymethyl)-4-nitrophenol
CID 177163753
N-[(5-nitro-2-pentoxyphenyl)methyl]ethanamine
CID 43472691
N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63055751
2-(bromomethyl)-4-nitro-1-nonoxybenzene
CID 3536348
1-heptoxy-2-(methoxymethyl)-4-nitrobenzene
CID 125465341

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-nitrophenol?
The IUPAC name of 2-butoxy-5-nitrophenol (CID 141158099) is 2-butoxy-5-nitrophenol.
What is the SMILES notation for 2-butoxy-5-nitrophenol?
The canonical SMILES for 2-butoxy-5-nitrophenol is CCCCOc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-butoxy-5-nitrophenol?
The InChIKey is QUSAZPBBDGIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 2-butoxy-5-nitrophenol?
2-butoxy-5-nitrophenol has a molecular weight of 211.22 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-nitrophenol is sourced from PubChem (CID 141158099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).