[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid

C26H31O2P — CID 150627398

IUPAC[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
SMILESCCCCc1cccc(CCCC)c1-c1c(-c2ccccc2)cccc1P(O)O
InChIInChI=1S/C26H31O2P/c1-3-5-12-21-16-10-17-22(13-6-4-2)25(21)26-23(20-14-8-7-9-15-20)18-11-19-24(26)29(27)28/h7-11,14-19,27-28H,3-6,12-13H2,1-2H3
InChIKeySVWKMLSGNSNRQK-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.63
Rot. Bonds9

About [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid

[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid (PubChem CID 150627398) has the molecular formula C26H31O2P and a molecular weight of 406.51 g/mol. Its IUPAC name is [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid.

Molecular Properties

Compound Name[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
PubChem CID150627398
Molecular FormulaC26H31O2P
Molecular Weight406.51 g/mol
Exact Mass406.21
IUPAC Name[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
SMILESCCCCc1cccc(CCCC)c1-c1c(-c2ccccc2)cccc1P(O)O
InChIInChI=1S/C26H31O2P/c1-3-5-12-21-16-10-17-22(13-6-4-2)25(21)26-23(20-14-8-7-9-15-20)18-11-19-24(26)29(27)28/h7-11,14-19,27-28H,3-6,12-13H2,1-2H3
InChIKeySVWKMLSGNSNRQK-UHFFFAOYSA-N
XLogP6.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2,3-diphenylbenzene
CID 54065322
1,3-dibutyl-2-phenylbenzene
CID 15421912
CID 66654402
CID 66654402
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
gold;1-pentyl-2-phenylbenzene
CID 174945702
[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid?
The IUPAC name of [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid (CID 150627398) is [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid.
What is the SMILES notation for [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid?
The canonical SMILES for [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid is CCCCc1cccc(CCCC)c1-c1c(-c2ccccc2)cccc1P(O)O.
What is the InChIKey of [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid?
The InChIKey is SVWKMLSGNSNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O2P/c1-3-5-12-21-16-10-17-22(13-6-4-2)25(21)26-23(20-14-8-7-9-15-20)18-11-19-24(26)29(27)28/h7-11,14-19,27-28H,3-6,12-13H2,1-2H3.
What are the key properties of [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid?
[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid has a molecular weight of 406.51 g/mol, XLogP of 6.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid is sourced from PubChem (CID 150627398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).