[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate

C15H15O5P — CID 67865556

IUPAC[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(C2CCc3ccccc3O2)c1
InChIInChI=1S/C15H15O5P/c16-21(17,18)20-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)19-15/h1-7,10,15H,8-9H2,(H2,16,17,18)
InChIKeyCSPBCCSTBSAAGS-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.22
Rot. Bonds3

About [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate

[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate (PubChem CID 67865556) has the molecular formula C15H15O5P and a molecular weight of 306.25 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
PubChem CID67865556
Molecular FormulaC15H15O5P
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(C2CCc3ccccc3O2)c1
InChIInChI=1S/C15H15O5P/c16-21(17,18)20-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)19-15/h1-7,10,15H,8-9H2,(H2,16,17,18)
InChIKeyCSPBCCSTBSAAGS-UHFFFAOYSA-N
XLogP3.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate (CID 67865556) is [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate is O=P(O)(O)Oc1cccc(C2CCc3ccccc3O2)c1.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate?
The InChIKey is CSPBCCSTBSAAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O5P/c16-21(17,18)20-13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)19-15/h1-7,10,15H,8-9H2,(H2,16,17,18).
What are the key properties of [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate?
[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate has a molecular weight of 306.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 67865556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).