2-naphthalen-1-ylethoxy-oxido-oxophosphanium

C12H11O3P — CID 18979368

IUPAC2-naphthalen-1-ylethoxy-oxido-oxophosphanium
SMILESO=[P+]([O-])OCCc1cccc2ccccc12
InChIInChI=1S/C12H11O3P/c13-16(14)15-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyVFHKXIJGOMJUJP-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.42
Rot. Bonds4

About 2-naphthalen-1-ylethoxy-oxido-oxophosphanium

2-naphthalen-1-ylethoxy-oxido-oxophosphanium (PubChem CID 18979368) has the molecular formula C12H11O3P and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-naphthalen-1-ylethoxy-oxido-oxophosphanium.

Molecular Properties

Compound Name2-naphthalen-1-ylethoxy-oxido-oxophosphanium
PubChem CID18979368
Molecular FormulaC12H11O3P
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name2-naphthalen-1-ylethoxy-oxido-oxophosphanium
SMILESO=[P+]([O-])OCCc1cccc2ccccc12
InChIInChI=1S/C12H11O3P/c13-16(14)15-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyVFHKXIJGOMJUJP-UHFFFAOYSA-N
XLogP2.42
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-ylethyl acetate
CID 592920
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
CID 69073430
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
ethane-1,2-diol;2-naphthalen-1-ylethyl hydrogen sulfate
CID 87696257
CID 66760372
CID 66760372
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
3-naphthalen-1-ylpropyl carbamate
CID 175301350
1-(4-methoxybutyl)naphthalene
CID 69278949
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethoxy-oxido-oxophosphanium?
The IUPAC name of 2-naphthalen-1-ylethoxy-oxido-oxophosphanium (CID 18979368) is 2-naphthalen-1-ylethoxy-oxido-oxophosphanium.
What is the SMILES notation for 2-naphthalen-1-ylethoxy-oxido-oxophosphanium?
The canonical SMILES for 2-naphthalen-1-ylethoxy-oxido-oxophosphanium is O=[P+]([O-])OCCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethoxy-oxido-oxophosphanium?
The InChIKey is VFHKXIJGOMJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P/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 2-naphthalen-1-ylethoxy-oxido-oxophosphanium?
2-naphthalen-1-ylethoxy-oxido-oxophosphanium has a molecular weight of 234.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethoxy-oxido-oxophosphanium is sourced from PubChem (CID 18979368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).