bis(4-hexylphenyl)-trihydroxy-λ5-phosphane

C24H37O3P — CID 57133783

IUPACbis(4-hexylphenyl)-trihydroxy-λ5-phosphane
SMILESCCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/C24H37O3P/c1-3-5-7-9-11-21-13-17-23(18-14-21)28(25,26,27)24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20,25-27H,3-12H2,1-2H3
InChIKeyCYJPPXKWQSCVLN-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.16
Rot. Bonds12

About bis(4-hexylphenyl)-trihydroxy-λ5-phosphane

bis(4-hexylphenyl)-trihydroxy-λ5-phosphane (PubChem CID 57133783) has the molecular formula C24H37O3P and a molecular weight of 404.53 g/mol. Its IUPAC name is bis(4-hexylphenyl)-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebis(4-hexylphenyl)-trihydroxy-λ5-phosphane
PubChem CID57133783
Molecular FormulaC24H37O3P
Molecular Weight404.53 g/mol
Exact Mass404.25
IUPAC Namebis(4-hexylphenyl)-trihydroxy-λ5-phosphane
SMILESCCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/C24H37O3P/c1-3-5-7-9-11-21-13-17-23(18-14-21)28(25,26,27)24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20,25-27H,3-12H2,1-2H3
InChIKeyCYJPPXKWQSCVLN-UHFFFAOYSA-N
XLogP5.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.16
H-Bond Donors ≤ 53
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

1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-(4-hexylphenyl)butan-2-one
CID 67820742
2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane
CID 57189480
1-methyl-4-octylbenzene
CID 11052746
hexylbenzene;hydrogen peroxide
CID 90001206
calcium;hydride;4-tetradecylphenol
CID 174582359
2-(4-dodecylphenyl)acetaldehyde
CID 175020639

Frequently Asked Questions

What is the IUPAC name of bis(4-hexylphenyl)-trihydroxy-λ5-phosphane?
The IUPAC name of bis(4-hexylphenyl)-trihydroxy-λ5-phosphane (CID 57133783) is bis(4-hexylphenyl)-trihydroxy-λ5-phosphane.
What is the SMILES notation for bis(4-hexylphenyl)-trihydroxy-λ5-phosphane?
The canonical SMILES for bis(4-hexylphenyl)-trihydroxy-λ5-phosphane is CCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCC)cc2)cc1.
What is the InChIKey of bis(4-hexylphenyl)-trihydroxy-λ5-phosphane?
The InChIKey is CYJPPXKWQSCVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37O3P/c1-3-5-7-9-11-21-13-17-23(18-14-21)28(25,26,27)24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20,25-27H,3-12H2,1-2H3.
What are the key properties of bis(4-hexylphenyl)-trihydroxy-λ5-phosphane?
bis(4-hexylphenyl)-trihydroxy-λ5-phosphane has a molecular weight of 404.53 g/mol, XLogP of 5.16, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hexylphenyl)-trihydroxy-λ5-phosphane is sourced from PubChem (CID 57133783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).