dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane

C27H34OP2 — CID 71039959

IUPACdimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
SMILESCCC(C)(Pc1c(C)cccc1CP(C)C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H34OP2/c1-6-27(3,29-26-21(2)13-12-16-23(26)20-30(4)5)24-17-10-11-18-25(24)28-19-22-14-8-7-9-15-22/h7-18,29H,6,19-20H2,1-5H3
InChIKeyBFHKKKHPPAFQPM-UHFFFAOYSA-N
MW436.52 g/mol
LogP7.44
Rot. Bonds9

About dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane

dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane (PubChem CID 71039959) has the molecular formula C27H34OP2 and a molecular weight of 436.52 g/mol. Its IUPAC name is dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane.

Molecular Properties

Compound Namedimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
PubChem CID71039959
Molecular FormulaC27H34OP2
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Namedimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
SMILESCCC(C)(Pc1c(C)cccc1CP(C)C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H34OP2/c1-6-27(3,29-26-21(2)13-12-16-23(26)20-30(4)5)24-17-10-11-18-25(24)28-19-22-14-8-7-9-15-22/h7-18,29H,6,19-20H2,1-5H3
InChIKeyBFHKKKHPPAFQPM-UHFFFAOYSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 57.44
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

N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
CID 71040177
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
CID 88969075
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]-N-methyl-1-phenylmethanimine
CID 88968917
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane?
The IUPAC name of dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane (CID 71039959) is dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane.
What is the SMILES notation for dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane?
The canonical SMILES for dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane is CCC(C)(Pc1c(C)cccc1CP(C)C)c1ccccc1OCc1ccccc1.
What is the InChIKey of dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane?
The InChIKey is BFHKKKHPPAFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34OP2/c1-6-27(3,29-26-21(2)13-12-16-23(26)20-30(4)5)24-17-10-11-18-25(24)28-19-22-14-8-7-9-15-22/h7-18,29H,6,19-20H2,1-5H3.
What are the key properties of dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane?
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane has a molecular weight of 436.52 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane is sourced from PubChem (CID 71039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).