4-nitrophenol;phosphane

C6H8NO3P — CID 157153413

IUPAC4-nitrophenol;phosphane
SMILESO=[N+]([O-])c1ccc(O)cc1.P
InChIInChI=1S/C6H5NO3.H3P/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;1H3
InChIKeyBBLVLUZIHDVFPM-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.36
Rot. Bonds1

About 4-nitrophenol;phosphane

4-nitrophenol;phosphane (PubChem CID 157153413) has the molecular formula C6H8NO3P and a molecular weight of 173.11 g/mol. Its IUPAC name is 4-nitrophenol;phosphane.

Molecular Properties

Compound Name4-nitrophenol;phosphane
PubChem CID157153413
Molecular FormulaC6H8NO3P
Molecular Weight173.11 g/mol
Exact Mass173.02
IUPAC Name4-nitrophenol;phosphane
SMILESO=[N+]([O-])c1ccc(O)cc1.P
InChIInChI=1S/C6H5NO3.H3P/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;1H3
InChIKeyBBLVLUZIHDVFPM-UHFFFAOYSA-N
XLogP1.36
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.36
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-nitrophenol
CID 88714583
calcium;hydride;4-nitrophenol
CID 173414286
4-nitrophenol;propan-2-one
CID 18924338
4-methylphenol;4-nitrophenol
CID 68529378
octakis(4-nitrophenol);tetrakis(1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane);tetrahydrate
CID 139075544
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
4-nitrophenol;tris(dimethylamino)sulfanium
CID 159014687
CID 6330464
CID 6330464
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
4-nitrophenol;phenyl hypochlorite
CID 174923646
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of 4-nitrophenol;phosphane?
The IUPAC name of 4-nitrophenol;phosphane (CID 157153413) is 4-nitrophenol;phosphane.
What is the SMILES notation for 4-nitrophenol;phosphane?
The canonical SMILES for 4-nitrophenol;phosphane is O=[N+]([O-])c1ccc(O)cc1.P.
What is the InChIKey of 4-nitrophenol;phosphane?
The InChIKey is BBLVLUZIHDVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.H3P/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;1H3.
What are the key properties of 4-nitrophenol;phosphane?
4-nitrophenol;phosphane has a molecular weight of 173.11 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrophenol;phosphane is sourced from PubChem (CID 157153413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).