1-(2-dichlorophosphorylethyl)naphthalene

C12H11Cl2OP — CID 18630427

IUPAC1-(2-dichlorophosphorylethyl)naphthalene
SMILESO=P(Cl)(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C12H11Cl2OP/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyOEVAQBUUZBAWOE-UHFFFAOYSA-N
MW273.10 g/mol
LogP5.05
Rot. Bonds3

About 1-(2-dichlorophosphorylethyl)naphthalene

1-(2-dichlorophosphorylethyl)naphthalene (PubChem CID 18630427) has the molecular formula C12H11Cl2OP and a molecular weight of 273.10 g/mol. Its IUPAC name is 1-(2-dichlorophosphorylethyl)naphthalene.

Molecular Properties

Compound Name1-(2-dichlorophosphorylethyl)naphthalene
PubChem CID18630427
Molecular FormulaC12H11Cl2OP
Molecular Weight273.10 g/mol
Exact Mass271.99
IUPAC Name1-(2-dichlorophosphorylethyl)naphthalene
SMILESO=P(Cl)(Cl)CCc1cccc2ccccc12
InChIInChI=1S/C12H11Cl2OP/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyOEVAQBUUZBAWOE-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.10
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
disodium;naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane
CID 172839887
dialuminum;tris(naphthalen-1-ylmethyl-dioxido-oxo-λ5-phosphane)
CID 159960659
azane;1-ethylnaphthalene
CID 19048185
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
ethane;2-naphthalen-1-ylethanol
CID 145119048
methanamine;1-propylnaphthalene
CID 174438724
3-naphthalen-1-ylpropan-1-ol
CID 14711518

Frequently Asked Questions

What is the IUPAC name of 1-(2-dichlorophosphorylethyl)naphthalene?
The IUPAC name of 1-(2-dichlorophosphorylethyl)naphthalene (CID 18630427) is 1-(2-dichlorophosphorylethyl)naphthalene.
What is the SMILES notation for 1-(2-dichlorophosphorylethyl)naphthalene?
The canonical SMILES for 1-(2-dichlorophosphorylethyl)naphthalene is O=P(Cl)(Cl)CCc1cccc2ccccc12.
What is the InChIKey of 1-(2-dichlorophosphorylethyl)naphthalene?
The InChIKey is OEVAQBUUZBAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2OP/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2.
What are the key properties of 1-(2-dichlorophosphorylethyl)naphthalene?
1-(2-dichlorophosphorylethyl)naphthalene has a molecular weight of 273.10 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dichlorophosphorylethyl)naphthalene is sourced from PubChem (CID 18630427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).