bis(3-methylphenyl)-(2-methylpropoxy)phosphane

C18H23OP — CID 175344000

IUPACbis(3-methylphenyl)-(2-methylpropoxy)phosphane
SMILESCc1cccc(P(OCC(C)C)c2cccc(C)c2)c1
InChIInChI=1S/C18H23OP/c1-14(2)13-19-20(17-9-5-7-15(3)11-17)18-10-6-8-16(4)12-18/h5-12,14H,13H2,1-4H3
InChIKeyRHKSIQRPGJXHEK-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.32
Rot. Bonds5

About bis(3-methylphenyl)-(2-methylpropoxy)phosphane

bis(3-methylphenyl)-(2-methylpropoxy)phosphane (PubChem CID 175344000) has the molecular formula C18H23OP and a molecular weight of 286.36 g/mol. Its IUPAC name is bis(3-methylphenyl)-(2-methylpropoxy)phosphane.

Molecular Properties

Compound Namebis(3-methylphenyl)-(2-methylpropoxy)phosphane
PubChem CID175344000
Molecular FormulaC18H23OP
Molecular Weight286.36 g/mol
Exact Mass286.15
IUPAC Namebis(3-methylphenyl)-(2-methylpropoxy)phosphane
SMILESCc1cccc(P(OCC(C)C)c2cccc(C)c2)c1
InChIInChI=1S/C18H23OP/c1-14(2)13-19-20(17-9-5-7-15(3)11-17)18-10-6-8-16(4)12-18/h5-12,14H,13H2,1-4H3
InChIKeyRHKSIQRPGJXHEK-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.32
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-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
(3-methylphenyl)-phenoxy-phenylphosphane
CID 145412543
bis(3-methylphenoxy)-propan-2-ylphosphane
CID 175546756
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
3-methylbutyl-bis(3-methylphenoxy)phosphane
CID 175546622
2-methylpropyl acetate;toluene
CID 19602176
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
tris(3-methylphenyl)-propan-2-ylphosphanium
CID 142458565
uranium;1,3-xylene
CID 142096795
ethane;1,3-xylene
CID 54570178
phosphane;tris(1,3-xylene)
CID 67351774

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)-(2-methylpropoxy)phosphane?
The IUPAC name of bis(3-methylphenyl)-(2-methylpropoxy)phosphane (CID 175344000) is bis(3-methylphenyl)-(2-methylpropoxy)phosphane.
What is the SMILES notation for bis(3-methylphenyl)-(2-methylpropoxy)phosphane?
The canonical SMILES for bis(3-methylphenyl)-(2-methylpropoxy)phosphane is Cc1cccc(P(OCC(C)C)c2cccc(C)c2)c1.
What is the InChIKey of bis(3-methylphenyl)-(2-methylpropoxy)phosphane?
The InChIKey is RHKSIQRPGJXHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-14(2)13-19-20(17-9-5-7-15(3)11-17)18-10-6-8-16(4)12-18/h5-12,14H,13H2,1-4H3.
What are the key properties of bis(3-methylphenyl)-(2-methylpropoxy)phosphane?
bis(3-methylphenyl)-(2-methylpropoxy)phosphane has a molecular weight of 286.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)-(2-methylpropoxy)phosphane is sourced from PubChem (CID 175344000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).