naphthalen-1-yl dihydrogen phosphate

C10H9O4P — CID 2115

IUPACnaphthalen-1-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKeyYNXICDMQCQPQEW-UHFFFAOYSA-N
MW224.15 g/mol
LogP2.31
Rot. Bonds2

About naphthalen-1-yl dihydrogen phosphate

naphthalen-1-yl dihydrogen phosphate (PubChem CID 2115) has the molecular formula C10H9O4P and a molecular weight of 224.15 g/mol. Its IUPAC name is naphthalen-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namenaphthalen-1-yl dihydrogen phosphate
PubChem CID2115
Molecular FormulaC10H9O4P
Molecular Weight224.15 g/mol
Exact Mass224.02
IUPAC Namenaphthalen-1-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc2ccccc12
InChIInChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKeyYNXICDMQCQPQEW-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthol
CID 7005
1,4-Naphthalenediol
CID 11305
1,5-Dihydroxynaphthalene
CID 6749
1,6-Dihydroxynaphthalene
CID 68463
Tris(2,5-xylenyl)phosphate
CID 29402
Tris(3,4-xylenyl)phosphate
CID 248886
Naphthalene-1,7-diol
CID 68462
2,6-Dihydroxynaphthalene
CID 93552
Menadiol Sodium Diphosphate
CID 197855
5,6,7,8-Tetrahydro-1-naphthol
CID 68258
1,8-Dihydroxynaphthalene
CID 68438
Kappadione
CID 8555

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl dihydrogen phosphate?
The IUPAC name of naphthalen-1-yl dihydrogen phosphate (CID 2115) is naphthalen-1-yl dihydrogen phosphate.
What is the SMILES notation for naphthalen-1-yl dihydrogen phosphate?
The canonical SMILES for naphthalen-1-yl dihydrogen phosphate is O=P(O)(O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl dihydrogen phosphate?
The InChIKey is YNXICDMQCQPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13).
What are the key properties of naphthalen-1-yl dihydrogen phosphate?
naphthalen-1-yl dihydrogen phosphate has a molecular weight of 224.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl dihydrogen phosphate is sourced from PubChem (CID 2115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).