6-phenylmethoxyhexylidenephosphanium

C13H20OP+ — CID 155584050

IUPAC6-phenylmethoxyhexylidenephosphanium
SMILES[PH2+]=CCCCCCOCc1ccccc1
InChIInChI=1S/C13H19OP/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,11,15H,1-2,6-7,10,12H2/p+1
InChIKeyRLOMUSQKQRBBFN-UHFFFAOYSA-O
MW223.28 g/mol
LogP3.44
Rot. Bonds8

About 6-phenylmethoxyhexylidenephosphanium

6-phenylmethoxyhexylidenephosphanium (PubChem CID 155584050) has the molecular formula C13H20OP+ and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-phenylmethoxyhexylidenephosphanium.

Molecular Properties

Compound Name6-phenylmethoxyhexylidenephosphanium
PubChem CID155584050
Molecular FormulaC13H20OP+
Molecular Weight223.28 g/mol
Exact Mass223.12
IUPAC Name6-phenylmethoxyhexylidenephosphanium
SMILES[PH2+]=CCCCCCOCc1ccccc1
InChIInChI=1S/C13H19OP/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,11,15H,1-2,6-7,10,12H2/p+1
InChIKeyRLOMUSQKQRBBFN-UHFFFAOYSA-O
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
undec-4-enoxymethylbenzene
CID 158781580
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
tris(8-phenylmethoxyoctyl)borane
CID 102473578
azane;hexoxymethylbenzene
CID 174805489
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyhexylidenephosphanium?
The IUPAC name of 6-phenylmethoxyhexylidenephosphanium (CID 155584050) is 6-phenylmethoxyhexylidenephosphanium.
What is the SMILES notation for 6-phenylmethoxyhexylidenephosphanium?
The canonical SMILES for 6-phenylmethoxyhexylidenephosphanium is [PH2+]=CCCCCCOCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyhexylidenephosphanium?
The InChIKey is RLOMUSQKQRBBFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19OP/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,11,15H,1-2,6-7,10,12H2/p+1.
What are the key properties of 6-phenylmethoxyhexylidenephosphanium?
6-phenylmethoxyhexylidenephosphanium has a molecular weight of 223.28 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyhexylidenephosphanium is sourced from PubChem (CID 155584050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).