bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane

C34H49O2P — CID 87421692

IUPACbis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane
SMILESCCCCCCc1cc(P(O)(O)(c2ccccc2)c2ccc(CC)c(CCCCCC)c2)ccc1CC
InChIInChI=1S/C34H49O2P/c1-5-9-11-14-18-30-26-33(24-22-28(30)7-3)37(35,36,32-20-16-13-17-21-32)34-25-23-29(8-4)31(27-34)19-15-12-10-6-2/h13,16-17,20-27,35-36H,5-12,14-15,18-19H2,1-4H3
InChIKeyQBQIXGCWYPPLJU-UHFFFAOYSA-N
MW520.74 g/mol
LogP7.70
Rot. Bonds15

About bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane

bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane (PubChem CID 87421692) has the molecular formula C34H49O2P and a molecular weight of 520.74 g/mol. Its IUPAC name is bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane
PubChem CID87421692
Molecular FormulaC34H49O2P
Molecular Weight520.74 g/mol
Exact Mass520.35
IUPAC Namebis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane
SMILESCCCCCCc1cc(P(O)(O)(c2ccccc2)c2ccc(CC)c(CCCCCC)c2)ccc1CC
InChIInChI=1S/C34H49O2P/c1-5-9-11-14-18-30-26-33(24-22-28(30)7-3)37(35,36,32-20-16-13-17-21-32)34-25-23-29(8-4)31(27-34)19-15-12-10-6-2/h13,16-17,20-27,35-36H,5-12,14-15,18-19H2,1-4H3
InChIKeyQBQIXGCWYPPLJU-UHFFFAOYSA-N
XLogP7.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.74
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-2-henicosylbenzene
CID 141174443
bis(4-ethyl-3-hexylphenoxy)-phenylphosphane
CID 68634189
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-nonyl-2-pentylbenzene
CID 54050070
3,4-didodecylbenzoic acid
CID 71073316
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane?
The IUPAC name of bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane (CID 87421692) is bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane.
What is the SMILES notation for bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane?
The canonical SMILES for bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane is CCCCCCc1cc(P(O)(O)(c2ccccc2)c2ccc(CC)c(CCCCCC)c2)ccc1CC.
What is the InChIKey of bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane?
The InChIKey is QBQIXGCWYPPLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49O2P/c1-5-9-11-14-18-30-26-33(24-22-28(30)7-3)37(35,36,32-20-16-13-17-21-32)34-25-23-29(8-4)31(27-34)19-15-12-10-6-2/h13,16-17,20-27,35-36H,5-12,14-15,18-19H2,1-4H3.
What are the key properties of bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane?
bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane has a molecular weight of 520.74 g/mol, XLogP of 7.70, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethyl-3-hexylphenyl)-dihydroxy-phenyl-λ5-phosphane is sourced from PubChem (CID 87421692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).