(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid

C22H17O5P — CID 69204256

IUPAC(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid
SMILESO=P(O)(O)c1cccc2c(O)c(-c3ccccc3)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C22H17O5P/c23-21-16-12-7-13-17(28(25,26)27)20(16)22(24)19(15-10-5-2-6-11-15)18(21)14-8-3-1-4-9-14/h1-13,23-24H,(H2,25,26,27)
InChIKeyRRXZWOLABBLKPE-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.39
Rot. Bonds3

About (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid

(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid (PubChem CID 69204256) has the molecular formula C22H17O5P and a molecular weight of 392.35 g/mol. Its IUPAC name is (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid.

Molecular Properties

Compound Name(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid
PubChem CID69204256
Molecular FormulaC22H17O5P
Molecular Weight392.35 g/mol
Exact Mass392.08
IUPAC Name(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid
SMILESO=P(O)(O)c1cccc2c(O)c(-c3ccccc3)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C22H17O5P/c23-21-16-12-7-13-17(28(25,26)27)20(16)22(24)19(15-10-5-2-6-11-15)18(21)14-8-3-1-4-9-14/h1-13,23-24H,(H2,25,26,27)
InChIKeyRRXZWOLABBLKPE-UHFFFAOYSA-N
XLogP4.39
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxypyrene
CID 21387
Menadiol
CID 10209
1,1'-Methylenebis(2-naphthalenol)
CID 14187
2-Benzyl-1-naphthol
CID 160268
Menadiol Sodium Diphosphate
CID 197855
3-Hydroxybenzo(a)pyrene
CID 25890
6-Hydroxychrysene
CID 37766
1-Hydroxyphenanthrene
CID 98490
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
Binol
CID 11762
Anthracene-1,4,9,10-tetraol
CID 68063
Phytonadiol
CID 5280585

Frequently Asked Questions

What is the IUPAC name of (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid?
The IUPAC name of (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid (CID 69204256) is (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid.
What is the SMILES notation for (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid?
The canonical SMILES for (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid is O=P(O)(O)c1cccc2c(O)c(-c3ccccc3)c(-c3ccccc3)c(O)c12.
What is the InChIKey of (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid?
The InChIKey is RRXZWOLABBLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O5P/c23-21-16-12-7-13-17(28(25,26)27)20(16)22(24)19(15-10-5-2-6-11-15)18(21)14-8-3-1-4-9-14/h1-13,23-24H,(H2,25,26,27).
What are the key properties of (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid?
(5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid has a molecular weight of 392.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dihydroxy-6,7-diphenylnaphthalen-1-yl)phosphonic acid is sourced from PubChem (CID 69204256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).