[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate

C20H15O5P — CID 15162418

IUPAC[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H15O5P/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)25-26(22,23)24/h1-12,21H,(H2,22,23,24)
InChIKeyBLDKDYYMQMICHM-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.84
Rot. Bonds3

About [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate (PubChem CID 15162418) has the molecular formula C20H15O5P and a molecular weight of 366.31 g/mol. Its IUPAC name is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
PubChem CID15162418
Molecular FormulaC20H15O5P
Molecular Weight366.31 g/mol
Exact Mass366.07
IUPAC Name[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H15O5P/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)25-26(22,23)24/h1-12,21H,(H2,22,23,24)
InChIKeyBLDKDYYMQMICHM-UHFFFAOYSA-N
XLogP4.84
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
[2-(1-phosphonooxynaphthalen-2-yl)naphthalen-1-yl] dihydrogen phosphate
CID 54196807
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate?
The IUPAC name of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate (CID 15162418) is [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate.
What is the SMILES notation for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate?
The canonical SMILES for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate is O=P(O)(O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate?
The InChIKey is BLDKDYYMQMICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O5P/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)25-26(22,23)24/h1-12,21H,(H2,22,23,24).
What are the key properties of [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate?
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate has a molecular weight of 366.31 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate is sourced from PubChem (CID 15162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).