2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid

C24H24NO7P — CID 67747125

IUPAC2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid
SMILESCc1cc(C(=O)O)cc2ccccc12.Nc1ccccc1-c1ccccc1O.O=P(O)(O)O
InChIInChI=1S/C12H11NO.C12H10O2.H3O4P/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9;1-5(2,3)4/h1-8,14H,13H2;2-7H,1H3,(H,13,14);(H3,1,2,3,4)
InChIKeyWYMWEEURMUYHOV-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.56
Rot. Bonds2

About 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid

2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid (PubChem CID 67747125) has the molecular formula C24H24NO7P and a molecular weight of 469.43 g/mol. Its IUPAC name is 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid.

Molecular Properties

Compound Name2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid
PubChem CID67747125
Molecular FormulaC24H24NO7P
Molecular Weight469.43 g/mol
Exact Mass469.13
IUPAC Name2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid
SMILESCc1cc(C(=O)O)cc2ccccc12.Nc1ccccc1-c1ccccc1O.O=P(O)(O)O
InChIInChI=1S/C12H11NO.C12H10O2.H3O4P/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9;1-5(2,3)4/h1-8,14H,13H2;2-7H,1H3,(H,13,14);(H3,1,2,3,4)
InChIKeyWYMWEEURMUYHOV-UHFFFAOYSA-N
XLogP4.56
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.43
LogP ≤ 54.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid?
The IUPAC name of 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid (CID 67747125) is 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid.
What is the SMILES notation for 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid?
The canonical SMILES for 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid is Cc1cc(C(=O)O)cc2ccccc12.Nc1ccccc1-c1ccccc1O.O=P(O)(O)O.
What is the InChIKey of 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid?
The InChIKey is WYMWEEURMUYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C12H10O2.H3O4P/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9;1-5(2,3)4/h1-8,14H,13H2;2-7H,1H3,(H,13,14);(H3,1,2,3,4).
What are the key properties of 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid?
2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid has a molecular weight of 469.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)phenol;4-methylnaphthalene-2-carboxylic acid;phosphoric acid is sourced from PubChem (CID 67747125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).