(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone

C23H15Cl2O2P — CID 22639250

IUPAC(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
SMILESO=C(c1c(Cl)cc2ccccc2c1Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15Cl2O2P/c24-20-15-16-9-7-8-14-19(16)22(25)21(20)23(26)28(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H
InChIKeyURXFJDSHXFLNPE-UHFFFAOYSA-N
MW425.25 g/mol
LogP6.30
Rot. Bonds4

About (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone

(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone (PubChem CID 22639250) has the molecular formula C23H15Cl2O2P and a molecular weight of 425.25 g/mol. Its IUPAC name is (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone.

Molecular Properties

Compound Name(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
PubChem CID22639250
Molecular FormulaC23H15Cl2O2P
Molecular Weight425.25 g/mol
Exact Mass424.02
IUPAC Name(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
SMILESO=C(c1c(Cl)cc2ccccc2c1Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15Cl2O2P/c24-20-15-16-9-7-8-14-19(16)22(25)21(20)23(26)28(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H
InChIKeyURXFJDSHXFLNPE-UHFFFAOYSA-N
XLogP6.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.25
LogP ≤ 56.30
H-Bond Donors ≤ 50
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 (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone?
The IUPAC name of (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone (CID 22639250) is (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone.
What is the SMILES notation for (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone?
The canonical SMILES for (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone is O=C(c1c(Cl)cc2ccccc2c1Cl)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone?
The InChIKey is URXFJDSHXFLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2O2P/c24-20-15-16-9-7-8-14-19(16)22(25)21(20)23(26)28(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H.
What are the key properties of (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone?
(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone has a molecular weight of 425.25 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone is sourced from PubChem (CID 22639250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).