hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane

C34H49O3P — CID 174641097

IUPAChydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
SMILESCc1ccccc1OP(O)(OCCCCCCCCCCC(C)C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C34H49O3P/c1-28(2)20-12-10-8-6-7-9-11-19-27-36-38(35,33-25-17-14-22-30(33)4,34-26-18-15-23-31(34)5)37-32-24-16-13-21-29(32)3/h13-18,21-26,28,35H,6-12,19-20,27H2,1-5H3
InChIKeyAIEVIOJFQYCSSC-UHFFFAOYSA-N
MW536.74 g/mol
LogP9.12
Rot. Bonds16

About hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane

hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane (PubChem CID 174641097) has the molecular formula C34H49O3P and a molecular weight of 536.74 g/mol. Its IUPAC name is hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
PubChem CID174641097
Molecular FormulaC34H49O3P
Molecular Weight536.74 g/mol
Exact Mass536.34
IUPAC Namehydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
SMILESCc1ccccc1OP(O)(OCCCCCCCCCCC(C)C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C34H49O3P/c1-28(2)20-12-10-8-6-7-9-11-19-27-36-38(35,33-25-17-14-22-30(33)4,34-26-18-15-23-31(34)5)37-32-24-16-13-21-29(32)3/h13-18,21-26,28,35H,6-12,19-20,27H2,1-5H3
InChIKeyAIEVIOJFQYCSSC-UHFFFAOYSA-N
XLogP9.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 59.12
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

hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174541027
6-methylheptyl 2-(2-methylphenoxy)acetate
CID 169099759
bis(6-methylheptyl) hydrogen phosphite;1,2-xylene
CID 175467030
[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate
CID 174824039
7-methyloctyl 2-(2-methylphenyl)acetate
CID 140794921
2-(18-methylnonadecoxy)benzoic acid
CID 172718399
2-(8-methylnonoxy)benzoic acid
CID 22075682
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-O-(4-methylpentyl) 4-O-(2-methylphenyl) (E)-but-2-enedioate
CID 91698701
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
bis(98-methylnonanonacontyl) benzene-1,2-dicarboxylate
CID 87582689
(2-methylphenyl) 4-methylpentanoate
CID 78776879

Frequently Asked Questions

What is the IUPAC name of hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The IUPAC name of hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane (CID 174641097) is hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane.
What is the SMILES notation for hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The canonical SMILES for hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane is Cc1ccccc1OP(O)(OCCCCCCCCCCC(C)C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The InChIKey is AIEVIOJFQYCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49O3P/c1-28(2)20-12-10-8-6-7-9-11-19-27-36-38(35,33-25-17-14-22-30(33)4,34-26-18-15-23-31(34)5)37-32-24-16-13-21-29(32)3/h13-18,21-26,28,35H,6-12,19-20,27H2,1-5H3.
What are the key properties of hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane has a molecular weight of 536.74 g/mol, XLogP of 9.12, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane is sourced from PubChem (CID 174641097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).