benzene;bis(4-methylphenoxy)phosphane

C20H21O2P — CID 158313390

IUPACbenzene;bis(4-methylphenoxy)phosphane
SMILESCc1ccc(OPOc2ccc(C)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H15O2P.C6H6/c1-11-3-7-13(8-4-11)15-17-16-14-9-5-12(2)6-10-14;1-2-4-6-5-3-1/h3-10,17H,1-2H3;1-6H
InChIKeyGNYMCBRHCHVRDM-UHFFFAOYSA-N
MW324.36 g/mol
LogP5.96
Rot. Bonds4

About benzene;bis(4-methylphenoxy)phosphane

benzene;bis(4-methylphenoxy)phosphane (PubChem CID 158313390) has the molecular formula C20H21O2P and a molecular weight of 324.36 g/mol. Its IUPAC name is benzene;bis(4-methylphenoxy)phosphane.

Molecular Properties

Compound Namebenzene;bis(4-methylphenoxy)phosphane
PubChem CID158313390
Molecular FormulaC20H21O2P
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namebenzene;bis(4-methylphenoxy)phosphane
SMILESCc1ccc(OPOc2ccc(C)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H15O2P.C6H6/c1-11-3-7-13(8-4-11)15-17-16-14-9-5-12(2)6-10-14;1-2-4-6-5-3-1/h3-10,17H,1-2H3;1-6H
InChIKeyGNYMCBRHCHVRDM-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.36
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(1,4-xylene)
CID 159472747
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;phenol
CID 167630836
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
[2-tert-butyl-6-(3-tert-butyl-5-methyl-2-phenoxyphosphanyloxyphenyl)-4-methylphenoxy]-phenoxyphosphane
CID 59086574
radon;toluene;1,4-xylene
CID 174747246
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
ruthenium;toluene;trihydrochloride
CID 174723656

Frequently Asked Questions

What is the IUPAC name of benzene;bis(4-methylphenoxy)phosphane?
The IUPAC name of benzene;bis(4-methylphenoxy)phosphane (CID 158313390) is benzene;bis(4-methylphenoxy)phosphane.
What is the SMILES notation for benzene;bis(4-methylphenoxy)phosphane?
The canonical SMILES for benzene;bis(4-methylphenoxy)phosphane is Cc1ccc(OPOc2ccc(C)cc2)cc1.c1ccccc1.
What is the InChIKey of benzene;bis(4-methylphenoxy)phosphane?
The InChIKey is GNYMCBRHCHVRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P.C6H6/c1-11-3-7-13(8-4-11)15-17-16-14-9-5-12(2)6-10-14;1-2-4-6-5-3-1/h3-10,17H,1-2H3;1-6H.
What are the key properties of benzene;bis(4-methylphenoxy)phosphane?
benzene;bis(4-methylphenoxy)phosphane has a molecular weight of 324.36 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(4-methylphenoxy)phosphane is sourced from PubChem (CID 158313390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).