2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate

C28H27O2P — CID 58591777

IUPAC2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate
SMILES[O-]c1c([P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc(O)c2ccccc12
InChIInChI=1S/C28H27O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-2,4-7,10-15,18-20,23H,3,8-9,16-17H2,(H-,29,30)
InChIKeyZLADXUFCZXJFLH-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.25
Rot. Bonds4

About 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate

2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate (PubChem CID 58591777) has the molecular formula C28H27O2P and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate.

Molecular Properties

Compound Name2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate
PubChem CID58591777
Molecular FormulaC28H27O2P
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Name2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate
SMILES[O-]c1c([P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc(O)c2ccccc12
InChIInChI=1S/C28H27O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-2,4-7,10-15,18-20,23H,3,8-9,16-17H2,(H-,29,30)
InChIKeyZLADXUFCZXJFLH-UHFFFAOYSA-N
XLogP5.25
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate?
The IUPAC name of 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate (CID 58591777) is 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate.
What is the SMILES notation for 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate?
The canonical SMILES for 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate is [O-]c1c([P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc(O)c2ccccc12.
What is the InChIKey of 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate?
The InChIKey is ZLADXUFCZXJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O2P/c29-26-20-27(28(30)25-19-11-10-18-24(25)26)31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-2,4-7,10-15,18-20,23H,3,8-9,16-17H2,(H-,29,30).
What are the key properties of 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate?
2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate has a molecular weight of 426.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(diphenyl)phosphaniumyl]-4-hydroxynaphthalen-1-olate is sourced from PubChem (CID 58591777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).