[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate

C11H11O5P — CID 146268446

IUPAC[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C11H11O5P/c12-7-8-1-2-10-6-11(16-17(13,14)15)4-3-9(10)5-8/h1-6,12H,7H2,(H2,13,14,15)
InChIKeyMMJHAFCZROFLQP-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.80
Rot. Bonds3

About [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate

[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate (PubChem CID 146268446) has the molecular formula C11H11O5P and a molecular weight of 254.18 g/mol. Its IUPAC name is [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate
PubChem CID146268446
Molecular FormulaC11H11O5P
Molecular Weight254.18 g/mol
Exact Mass254.03
IUPAC Name[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C11H11O5P/c12-7-8-1-2-10-6-11(16-17(13,14)15)4-3-9(10)5-8/h1-6,12H,7H2,(H2,13,14,15)
InChIKeyMMJHAFCZROFLQP-UHFFFAOYSA-N
XLogP1.80
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate?
The IUPAC name of [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate (CID 146268446) is [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate.
What is the SMILES notation for [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate?
The canonical SMILES for [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate is O=P(O)(O)Oc1ccc2cc(CO)ccc2c1.
What is the InChIKey of [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate?
The InChIKey is MMJHAFCZROFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O5P/c12-7-8-1-2-10-6-11(16-17(13,14)15)4-3-9(10)5-8/h1-6,12H,7H2,(H2,13,14,15).
What are the key properties of [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate?
[6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate has a molecular weight of 254.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)naphthalen-2-yl] dihydrogen phosphate is sourced from PubChem (CID 146268446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).