5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione

C16H11NO4 — CID 86231419

IUPAC5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione
SMILESO=C1C(Nc2ccc(O)cc2)=CC(=O)c2c(O)cccc21
InChIInChI=1S/C16H11NO4/c18-10-6-4-9(5-7-10)17-12-8-14(20)15-11(16(12)21)2-1-3-13(15)19/h1-8,17-19H
InChIKeyPJMVJHSILVHJBB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.47
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione

5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione (PubChem CID 86231419) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione
PubChem CID86231419
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione
SMILESO=C1C(Nc2ccc(O)cc2)=CC(=O)c2c(O)cccc21
InChIInChI=1S/C16H11NO4/c18-10-6-4-9(5-7-10)17-12-8-14(20)15-11(16(12)21)2-1-3-13(15)19/h1-8,17-19H
InChIKeyPJMVJHSILVHJBB-UHFFFAOYSA-N
XLogP2.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-anilino-8-hydroxynaphthalene-1,4-dione
CID 73355164
(6-anilino-5,8-dioxonaphthalen-1-yl) acetate
CID 170895334
2-chloro-5-hydroxynaphthalene-1,4-dione
CID 10353030
ethane;6-(naphthalen-2-ylamino)-5,8-dioxonaphthalene-1-sulfonamide
CID 144576091
2-(3-anilinoanilino)naphthalene-1,4-dione
CID 35206766
7-anilino-5,8-dioxonaphthalene-1-sulfonamide
CID 71726834
2-(4-methylsulfanylanilino)naphthalene-1,4-dione
CID 138969808
[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl] acetate
CID 10518794
N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 2391700
2-[4-(trifluoromethoxy)anilino]naphthalene-1,4-dione
CID 118948623
2-(4-chlorophenyl)-5-hydroxynaphthalene-1,4-dione
CID 164609710
2-(3,4-dihydroxyphenyl)-5-hydroxynaphthalene-1,4-dione
CID 142635586

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione?
The IUPAC name of 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione (CID 86231419) is 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione is O=C1C(Nc2ccc(O)cc2)=CC(=O)c2c(O)cccc21.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione?
The InChIKey is PJMVJHSILVHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-10-6-4-9(5-7-10)17-12-8-14(20)15-11(16(12)21)2-1-3-13(15)19/h1-8,17-19H.
What are the key properties of 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione?
5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione has a molecular weight of 281.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyanilino)naphthalene-1,4-dione is sourced from PubChem (CID 86231419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).