[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane

C24H36OP2 — CID 88589671

IUPAC[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane
SMILESCPc1ccc(CP)c(-c2ccc(OCCC(C)CCCC(C)C)cc2)c1
InChIInChI=1S/C24H36OP2/c1-18(2)6-5-7-19(3)14-15-25-22-11-8-20(9-12-22)24-16-23(27-4)13-10-21(24)17-26/h8-13,16,18-19,27H,5-7,14-15,17,26H2,1-4H3
InChIKeyZAFBSTBRVFYIPT-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.89
Rot. Bonds11

About [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane

[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane (PubChem CID 88589671) has the molecular formula C24H36OP2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane.

Molecular Properties

Compound Name[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane
PubChem CID88589671
Molecular FormulaC24H36OP2
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane
SMILESCPc1ccc(CP)c(-c2ccc(OCCC(C)CCCC(C)C)cc2)c1
InChIInChI=1S/C24H36OP2/c1-18(2)6-5-7-19(3)14-15-25-22-11-8-20(9-12-22)24-16-23(27-4)13-10-21(24)17-26/h8-13,16,18-19,27H,5-7,14-15,17,26H2,1-4H3
InChIKeyZAFBSTBRVFYIPT-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-[4-(3,7-dimethyloctoxy)phenyl]benzene
CID 18177604
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
CID 141001120
1-(3,7-dimethyloctoxy)-4-(2-ethynylphenyl)benzene
CID 101132729
2-[4-(3,7-dimethyloctoxy)phenyl]terephthalic acid
CID 141048785
1-[4-[4-[(3S)-3,7-dimethyloctoxy]phenyl]phenyl]-9,9-dipropylfluorene
CID 162767507
1-[(3S)-3,7-dimethyloctoxy]-4-isocyanobenzene
CID 102039293
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
3-[15-[4-[4-[15-[3-hydroxy-2-(3,7,11,15-tetramethylhexadecoxy)propoxy]pentadecoxy]phenyl]phenoxy]pentadecoxy]-2-(3,7,11,15-tetramethylhexadecoxy)propan-1-ol
CID 15487025
[4-(4-hydroxyphenoxy)carbonylphenyl] 4-[(3S)-3,7-dimethyloctoxy]benzoate
CID 138718417
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane?
The IUPAC name of [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane (CID 88589671) is [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane.
What is the SMILES notation for [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane?
The canonical SMILES for [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane is CPc1ccc(CP)c(-c2ccc(OCCC(C)CCCC(C)C)cc2)c1.
What is the InChIKey of [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane?
The InChIKey is ZAFBSTBRVFYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36OP2/c1-18(2)6-5-7-19(3)14-15-25-22-11-8-20(9-12-22)24-16-23(27-4)13-10-21(24)17-26/h8-13,16,18-19,27H,5-7,14-15,17,26H2,1-4H3.
What are the key properties of [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane?
[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane has a molecular weight of 402.50 g/mol, XLogP of 6.89, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane is sourced from PubChem (CID 88589671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).