methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane

C28H29O3P — CID 174535694

IUPACmethoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane
SMILESCOP(Oc1ccccc1)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H29O3P/c1-22-14-8-11-19-26(22)31-32(29-4,27-20-12-9-15-23(27)2,28-21-13-10-16-24(28)3)30-25-17-6-5-7-18-25/h5-21H,1-4H3
InChIKeyUKPHLOIISPEYFX-UHFFFAOYSA-N
MW444.51 g/mol
LogP6.67
Rot. Bonds7

About methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane

methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane (PubChem CID 174535694) has the molecular formula C28H29O3P and a molecular weight of 444.51 g/mol. Its IUPAC name is methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane
PubChem CID174535694
Molecular FormulaC28H29O3P
Molecular Weight444.51 g/mol
Exact Mass444.19
IUPAC Namemethoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane
SMILESCOP(Oc1ccccc1)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C28H29O3P/c1-22-14-8-11-19-26(22)31-32(29-4,27-20-12-9-15-23(27)2,28-21-13-10-16-24(28)3)30-25-17-6-5-7-18-25/h5-21H,1-4H3
InChIKeyUKPHLOIISPEYFX-UHFFFAOYSA-N
XLogP6.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine
CID 174484968
(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane
CID 174806887
ethane;1-methyl-2-phenoxybenzene
CID 90950955
methoxy(tetraphenoxy)-λ5-phosphane
CID 23416854
hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174541027
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
(2-methylphenyl) cyanate;phenyl cyanate
CID 142108602
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
CID 174625067
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl] 2-methylprop-2-enoate
CID 174824039
hydroxy-(2-methylphenoxy)-phenoxy-phenylsilane
CID 162717968

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane?
The IUPAC name of methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane (CID 174535694) is methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane.
What is the SMILES notation for methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane?
The canonical SMILES for methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane is COP(Oc1ccccc1)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane?
The InChIKey is UKPHLOIISPEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29O3P/c1-22-14-8-11-19-26(22)31-32(29-4,27-20-12-9-15-23(27)2,28-21-13-10-16-24(28)3)30-25-17-6-5-7-18-25/h5-21H,1-4H3.
What are the key properties of methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane?
methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane has a molecular weight of 444.51 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane is sourced from PubChem (CID 174535694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).