1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene

C20H14ClO5P — CID 87221296

IUPAC1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
SMILESO=P(Cl)(OOc1cccc2ccccc12)OOc1cccc2ccccc12
InChIInChI=1S/C20H14ClO5P/c21-27(22,25-23-19-13-5-9-15-7-1-3-11-17(15)19)26-24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyJAXCXRVMTHINKQ-UHFFFAOYSA-N
MW400.75 g/mol
LogP6.66
Rot. Bonds6

About 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene

1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene (PubChem CID 87221296) has the molecular formula C20H14ClO5P and a molecular weight of 400.75 g/mol. Its IUPAC name is 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene.

Molecular Properties

Compound Name1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
PubChem CID87221296
Molecular FormulaC20H14ClO5P
Molecular Weight400.75 g/mol
Exact Mass400.03
IUPAC Name1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
SMILESO=P(Cl)(OOc1cccc2ccccc12)OOc1cccc2ccccc12
InChIInChI=1S/C20H14ClO5P/c21-27(22,25-23-19-13-5-9-15-7-1-3-11-17(15)19)26-24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyJAXCXRVMTHINKQ-UHFFFAOYSA-N
XLogP6.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium naphthalen-1-yl phosphate
CID 22991747
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2-[2-[2-(2-naphthalen-1-yloxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 122611590
2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
CID 122611702
1-[chloro-(4-nitrophenoxy)phosphoryl]oxynaphthalene;ethane
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2-naphthalen-1-ylperoxy-N-phenylbenzamide
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[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
naphthalen-1-yl 2-chloroacetate
CID 588968
1-(3-chloropropoxy)naphthalene
CID 12685615
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene?
The IUPAC name of 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene (CID 87221296) is 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene.
What is the SMILES notation for 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene?
The canonical SMILES for 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene is O=P(Cl)(OOc1cccc2ccccc12)OOc1cccc2ccccc12.
What is the InChIKey of 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene?
The InChIKey is JAXCXRVMTHINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClO5P/c21-27(22,25-23-19-13-5-9-15-7-1-3-11-17(15)19)26-24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene?
1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene has a molecular weight of 400.75 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene is sourced from PubChem (CID 87221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).