5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione

C10H7O5P — CID 142847479

IUPAC5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione
SMILESO=C1C=C(OP)C(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H7O5P/c11-4-1-2-5(12)9-8(4)6(13)3-7(15-16)10(9)14/h1-3,11-12H,16H2
InChIKeyRWHDWNFVCJFOBQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP1.17
Rot. Bonds1

About 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione

5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione (PubChem CID 142847479) has the molecular formula C10H7O5P and a molecular weight of 238.13 g/mol. Its IUPAC name is 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione
PubChem CID142847479
Molecular FormulaC10H7O5P
Molecular Weight238.13 g/mol
Exact Mass238.00
IUPAC Name5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione
SMILESO=C1C=C(OP)C(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H7O5P/c11-4-1-2-5(12)9-8(4)6(13)3-7(15-16)10(9)14/h1-3,11-12H,16H2
InChIKeyRWHDWNFVCJFOBQ-UHFFFAOYSA-N
XLogP1.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 175981713
CID 175981713
5,8-dihydroxy-4-imino-3-methoxynaphthalen-1-one
CID 135678056
2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione
CID 86084516
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;methoxymethane
CID 174526528
2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
CID 5279640
5-chloro-8-hydroxy-2-methylnaphthalene-1,4-dione
CID 71324480
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;hydrate
CID 146295224
5,8-dihydroxy-2-(1-hydroxypentyl)naphthalene-1,4-dione
CID 10564379
5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione
CID 5317321
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2,2-difluoropropanoate
CID 66547094
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;formic acid
CID 174651969

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione?
The IUPAC name of 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione (CID 142847479) is 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione.
What is the SMILES notation for 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione?
The canonical SMILES for 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione is O=C1C=C(OP)C(=O)c2c(O)ccc(O)c21.
What is the InChIKey of 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione?
The InChIKey is RWHDWNFVCJFOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7O5P/c11-4-1-2-5(12)9-8(4)6(13)3-7(15-16)10(9)14/h1-3,11-12H,16H2.
What are the key properties of 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione?
5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione has a molecular weight of 238.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione is sourced from PubChem (CID 142847479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).