2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium

C15H18O4P+ — CID 174787192

IUPAC2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
SMILESCC1(C)CO[P+](O)(Oc2ccc3ccccc3c2)OC1
InChIInChI=1S/C15H18O4P/c1-15(2)10-17-20(16,18-11-15)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,16H,10-11H2,1-2H3/q+1
InChIKeyPDWJUTCCSWODBX-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.96
Rot. Bonds2

About 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium

2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium (PubChem CID 174787192) has the molecular formula C15H18O4P+ and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium.

Molecular Properties

Compound Name2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
PubChem CID174787192
Molecular FormulaC15H18O4P+
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
SMILESCC1(C)CO[P+](O)(Oc2ccc3ccccc3c2)OC1
InChIInChI=1S/C15H18O4P/c1-15(2)10-17-20(16,18-11-15)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,16H,10-11H2,1-2H3/q+1
InChIKeyPDWJUTCCSWODBX-UHFFFAOYSA-N
XLogP3.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium?
The IUPAC name of 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium (CID 174787192) is 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium.
What is the SMILES notation for 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium?
The canonical SMILES for 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium is CC1(C)CO[P+](O)(Oc2ccc3ccccc3c2)OC1.
What is the InChIKey of 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium?
The InChIKey is PDWJUTCCSWODBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4P/c1-15(2)10-17-20(16,18-11-15)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,16H,10-11H2,1-2H3/q+1.
What are the key properties of 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium?
2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium has a molecular weight of 293.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium is sourced from PubChem (CID 174787192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).