1,1'-biphenyl;ethyl hexyl hydrogen phosphite

C20H29O3P — CID 67071902

IUPAC1,1'-biphenyl;ethyl hexyl hydrogen phosphite
SMILESCCCCCCOP(O)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H19O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-6-7-8-11-12(9)10-4-2/h1-10H;9H,3-8H2,1-2H3
InChIKeyFTRMLDKGNZTOJF-UHFFFAOYSA-N
MW348.42 g/mol
LogP6.19
Rot. Bonds9

About 1,1'-biphenyl;ethyl hexyl hydrogen phosphite

1,1'-biphenyl;ethyl hexyl hydrogen phosphite (PubChem CID 67071902) has the molecular formula C20H29O3P and a molecular weight of 348.42 g/mol. Its IUPAC name is 1,1'-biphenyl;ethyl hexyl hydrogen phosphite.

Molecular Properties

Compound Name1,1'-biphenyl;ethyl hexyl hydrogen phosphite
PubChem CID67071902
Molecular FormulaC20H29O3P
Molecular Weight348.42 g/mol
Exact Mass348.19
IUPAC Name1,1'-biphenyl;ethyl hexyl hydrogen phosphite
SMILESCCCCCCOP(O)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H19O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-6-7-8-11-12(9)10-4-2/h1-10H;9H,3-8H2,1-2H3
InChIKeyFTRMLDKGNZTOJF-UHFFFAOYSA-N
XLogP6.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

benzyl hexyl hydrogen phosphite
CID 174676176
benzyl dodecyl hydrogen phosphite
CID 161198417
didecyl hydrogen phosphite
CID 14151265
ethoxy-hexoxy-phenylphosphane
CID 154163043
heptoxy(phenyl)phosphinous acid
CID 12959801
propyl tetradecyl hydrogen phosphite
CID 121403997
1,1'-biphenyl;hexadecane
CID 173308514
diethyl hydrogen phosphite;toluene
CID 162138652
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
dihydroxy(oxo)titanium;bis(ditridecyl hydrogen phosphite)
CID 87482236
hexyl methyl hydrogen phosphite
CID 22731198

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethyl hexyl hydrogen phosphite?
The IUPAC name of 1,1'-biphenyl;ethyl hexyl hydrogen phosphite (CID 67071902) is 1,1'-biphenyl;ethyl hexyl hydrogen phosphite.
What is the SMILES notation for 1,1'-biphenyl;ethyl hexyl hydrogen phosphite?
The canonical SMILES for 1,1'-biphenyl;ethyl hexyl hydrogen phosphite is CCCCCCOP(O)OCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethyl hexyl hydrogen phosphite?
The InChIKey is FTRMLDKGNZTOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H19O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-6-7-8-11-12(9)10-4-2/h1-10H;9H,3-8H2,1-2H3.
What are the key properties of 1,1'-biphenyl;ethyl hexyl hydrogen phosphite?
1,1'-biphenyl;ethyl hexyl hydrogen phosphite has a molecular weight of 348.42 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethyl hexyl hydrogen phosphite is sourced from PubChem (CID 67071902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).