(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate

C11H9O6P — CID 11161491

IUPAC(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate
SMILESO=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12
InChIInChI=1S/C11H9O6P/c12-6-10-9-3-2-8(17-18(14,15)16)5-7(9)1-4-11(10)13/h1-6,13H,(H2,14,15,16)
InChIKeyDQJHPQTYWOEJHT-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.83
Rot. Bonds3

About (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate

(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate (PubChem CID 11161491) has the molecular formula C11H9O6P and a molecular weight of 268.16 g/mol. Its IUPAC name is (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate
PubChem CID11161491
Molecular FormulaC11H9O6P
Molecular Weight268.16 g/mol
Exact Mass268.01
IUPAC Name(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate
SMILESO=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12
InChIInChI=1S/C11H9O6P/c12-6-10-9-3-2-8(17-18(14,15)16)5-7(9)1-4-11(10)13/h1-6,13H,(H2,14,15,16)
InChIKeyDQJHPQTYWOEJHT-UHFFFAOYSA-N
XLogP1.83
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate?
The IUPAC name of (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate (CID 11161491) is (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate.
What is the SMILES notation for (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate?
The canonical SMILES for (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate is O=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12.
What is the InChIKey of (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate?
The InChIKey is DQJHPQTYWOEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O6P/c12-6-10-9-3-2-8(17-18(14,15)16)5-7(9)1-4-11(10)13/h1-6,13H,(H2,14,15,16).
What are the key properties of (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate?
(5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate has a molecular weight of 268.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-6-hydroxynaphthalen-2-yl) dihydrogen phosphate is sourced from PubChem (CID 11161491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).