1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol

C24H23O2P — CID 102399892

IUPAC1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCP(=O)(CC)c1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C24H23O2P/c1-3-27(26,4-2)22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)25/h5-16,25H,3-4H2,1-2H3
InChIKeyPRDOBASTUKPOSV-UHFFFAOYSA-N
MW374.42 g/mol
LogP6.39
Rot. Bonds4

About 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol

1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 102399892) has the molecular formula C24H23O2P and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID102399892
Molecular FormulaC24H23O2P
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCP(=O)(CC)c1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C24H23O2P/c1-3-27(26,4-2)22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)25/h5-16,25H,3-4H2,1-2H3
InChIKeyPRDOBASTUKPOSV-UHFFFAOYSA-N
XLogP6.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 56.39
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 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol (CID 102399892) is 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol is CCP(=O)(CC)c1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is PRDOBASTUKPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2P/c1-3-27(26,4-2)22-16-14-18-10-6-8-12-20(18)24(22)23-19-11-7-5-9-17(19)13-15-21(23)25/h5-16,25H,3-4H2,1-2H3.
What are the key properties of 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol?
1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 374.42 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 102399892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).