2-methoxy-4-nitrophenol;phosphoric acid

C7H10NO8P — CID 174688966

IUPAC2-methoxy-4-nitrophenol;phosphoric acid
SMILESCOc1cc([N+](=O)[O-])ccc1O.O=P(O)(O)O
InChIInChI=1S/C7H7NO4.H3O4P/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-5(2,3)4/h2-4,9H,1H3;(H3,1,2,3,4)
InChIKeyXVKDYUUXMKODCQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP0.38
Rot. Bonds2

About 2-methoxy-4-nitrophenol;phosphoric acid

2-methoxy-4-nitrophenol;phosphoric acid (PubChem CID 174688966) has the molecular formula C7H10NO8P and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-methoxy-4-nitrophenol;phosphoric acid.

Molecular Properties

Compound Name2-methoxy-4-nitrophenol;phosphoric acid
PubChem CID174688966
Molecular FormulaC7H10NO8P
Molecular Weight267.13 g/mol
Exact Mass267.01
IUPAC Name2-methoxy-4-nitrophenol;phosphoric acid
SMILESCOc1cc([N+](=O)[O-])ccc1O.O=P(O)(O)O
InChIInChI=1S/C7H7NO4.H3O4P/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-5(2,3)4/h2-4,9H,1H3;(H3,1,2,3,4)
InChIKeyXVKDYUUXMKODCQ-UHFFFAOYSA-N
XLogP0.38
TPSA150.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 50.38
H-Bond Donors ≤ 54
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methoxy-4-nitrophenol
CID 91188946
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
(2-methoxy-4-nitrophenyl)hydrazine;phosphoric acid
CID 138619587
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
1-fluoro-2-methoxy-4-nitrobenzene;2-fluoro-5-nitrophenol;iodomethane
CID 159872885
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-methoxy-4-nitrobenzoate
CID 6995516
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
2-methoxy-4-nitrobenzaldehyde
CID 2759599
(2-methoxy-5-nitrophenyl) hydrogen sulfate
CID 91556301

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitrophenol;phosphoric acid?
The IUPAC name of 2-methoxy-4-nitrophenol;phosphoric acid (CID 174688966) is 2-methoxy-4-nitrophenol;phosphoric acid.
What is the SMILES notation for 2-methoxy-4-nitrophenol;phosphoric acid?
The canonical SMILES for 2-methoxy-4-nitrophenol;phosphoric acid is COc1cc([N+](=O)[O-])ccc1O.O=P(O)(O)O.
What is the InChIKey of 2-methoxy-4-nitrophenol;phosphoric acid?
The InChIKey is XVKDYUUXMKODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.H3O4P/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-5(2,3)4/h2-4,9H,1H3;(H3,1,2,3,4).
What are the key properties of 2-methoxy-4-nitrophenol;phosphoric acid?
2-methoxy-4-nitrophenol;phosphoric acid has a molecular weight of 267.13 g/mol, XLogP of 0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitrophenol;phosphoric acid is sourced from PubChem (CID 174688966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).