bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane

C48H85O3P — CID 57324563

IUPACbis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
SMILESCCCCCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1
InChIInChI=1S/C48H85O3P/c1-5-9-13-17-21-25-29-33-43-37-39-47(45(41-43)35-31-27-23-19-15-11-7-3)52(49,50,51)48-40-38-44(34-30-26-22-18-14-10-6-2)42-46(48)36-32-28-24-20-16-12-8-4/h37-42,49-51H,5-36H2,1-4H3
InChIKeyZNOWJOOJZRSNLE-UHFFFAOYSA-N
MW741.18 g/mol
LogP14.09
Rot. Bonds34

About bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane

bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane (PubChem CID 57324563) has the molecular formula C48H85O3P and a molecular weight of 741.18 g/mol. Its IUPAC name is bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
PubChem CID57324563
Molecular FormulaC48H85O3P
Molecular Weight741.18 g/mol
Exact Mass740.62
IUPAC Namebis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
SMILESCCCCCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1
InChIInChI=1S/C48H85O3P/c1-5-9-13-17-21-25-29-33-43-37-39-47(45(41-43)35-31-27-23-19-15-11-7-3)52(49,50,51)48-40-38-44(34-30-26-22-18-14-10-6-2)42-46(48)36-32-28-24-20-16-12-8-4/h37-42,49-51H,5-36H2,1-4H3
InChIKeyZNOWJOOJZRSNLE-UHFFFAOYSA-N
XLogP14.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.18
LogP ≤ 514.09
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

1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
4-nonyl-2-pentylphenol
CID 86162849
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
1,2-dibromo-4-hexylbenzene
CID 54422362
bis(4-hexylphenyl)-trihydroxy-λ5-phosphane
CID 57133783
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-4-heptylphenol
CID 58289223
[2,4-di(nonyl)phenoxy]-dihydroxy-bis(4-nonylphenyl)-λ5-phosphane
CID 68692606
2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane
CID 118126828
1,2-dimethyl-4-octylbenzene
CID 14044616
2,4,6-triheptylphenol
CID 139692303
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544

Frequently Asked Questions

What is the IUPAC name of bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane?
The IUPAC name of bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane (CID 57324563) is bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane.
What is the SMILES notation for bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane?
The canonical SMILES for bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane is CCCCCCCCCc1ccc(P(O)(O)(O)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1.
What is the InChIKey of bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane?
The InChIKey is ZNOWJOOJZRSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H85O3P/c1-5-9-13-17-21-25-29-33-43-37-39-47(45(41-43)35-31-27-23-19-15-11-7-3)52(49,50,51)48-40-38-44(34-30-26-22-18-14-10-6-2)42-46(48)36-32-28-24-20-16-12-8-4/h37-42,49-51H,5-36H2,1-4H3.
What are the key properties of bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane?
bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane has a molecular weight of 741.18 g/mol, XLogP of 14.09, 34 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane is sourced from PubChem (CID 57324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).