1,1'-biphenyl;methoxy-methyl-oxophosphanium

C14H16O2P+ — CID 91013313

IUPAC1,1'-biphenyl;methoxy-methyl-oxophosphanium
SMILESCO[P+](C)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;1-2H3/q;+1
InChIKeyHBUAEMKIPFTLNH-UHFFFAOYSA-N
MW247.25 g/mol
LogP4.36
Rot. Bonds2

About 1,1'-biphenyl;methoxy-methyl-oxophosphanium

1,1'-biphenyl;methoxy-methyl-oxophosphanium (PubChem CID 91013313) has the molecular formula C14H16O2P+ and a molecular weight of 247.25 g/mol. Its IUPAC name is 1,1'-biphenyl;methoxy-methyl-oxophosphanium.

Molecular Properties

Compound Name1,1'-biphenyl;methoxy-methyl-oxophosphanium
PubChem CID91013313
Molecular FormulaC14H16O2P+
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Name1,1'-biphenyl;methoxy-methyl-oxophosphanium
SMILESCO[P+](C)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;1-2H3/q;+1
InChIKeyHBUAEMKIPFTLNH-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-oxo-(4-phenylphenoxy)phosphanium
CID 164967000
1,1'-biphenyl;methoxyphosphane
CID 69051753
bis(1,1'-biphenyl);phosphenous acid
CID 18188455
benzene;1,1'-biphenyl;ethane
CID 158550617
1,1'-biphenyl;λ2-stannane;dihydrochloride
CID 173025942
benzene;tris(1,1'-biphenyl)
CID 162155747
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
hydroxy-oxo-(4-phenylphenyl)phosphanium
CID 19796179
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
benzene;bis(hydroxy-methyl-oxophosphanium);zinc
CID 174903400
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;methoxy-methyl-oxophosphanium?
The IUPAC name of 1,1'-biphenyl;methoxy-methyl-oxophosphanium (CID 91013313) is 1,1'-biphenyl;methoxy-methyl-oxophosphanium.
What is the SMILES notation for 1,1'-biphenyl;methoxy-methyl-oxophosphanium?
The canonical SMILES for 1,1'-biphenyl;methoxy-methyl-oxophosphanium is CO[P+](C)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;methoxy-methyl-oxophosphanium?
The InChIKey is HBUAEMKIPFTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H6O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(2)3/h1-10H;1-2H3/q;+1.
What are the key properties of 1,1'-biphenyl;methoxy-methyl-oxophosphanium?
1,1'-biphenyl;methoxy-methyl-oxophosphanium has a molecular weight of 247.25 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;methoxy-methyl-oxophosphanium is sourced from PubChem (CID 91013313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).