3,3-bis(4-methylphenoxy)propylphosphane

C17H21O2P — CID 155662806

IUPAC3,3-bis(4-methylphenoxy)propylphosphane
SMILESCc1ccc(OC(CCP)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21O2P/c1-13-3-7-15(8-4-13)18-17(11-12-20)19-16-9-5-14(2)6-10-16/h3-10,17H,11-12,20H2,1-2H3
InChIKeyVTDCWZUYTPOYQH-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.35
Rot. Bonds6

About 3,3-bis(4-methylphenoxy)propylphosphane

3,3-bis(4-methylphenoxy)propylphosphane (PubChem CID 155662806) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is 3,3-bis(4-methylphenoxy)propylphosphane.

Molecular Properties

Compound Name3,3-bis(4-methylphenoxy)propylphosphane
PubChem CID155662806
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name3,3-bis(4-methylphenoxy)propylphosphane
SMILESCc1ccc(OC(CCP)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21O2P/c1-13-3-7-15(8-4-13)18-17(11-12-20)19-16-9-5-14(2)6-10-16/h3-10,17H,11-12,20H2,1-2H3
InChIKeyVTDCWZUYTPOYQH-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3,3-bis(4-methylphenoxy)propylphosphane 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

[3-methyl-1-(4-methylphenoxy)butyl] hypochlorite
CID 168765265
1-(diethoxymethoxy)-4-methylbenzene
CID 86206447
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
4-(4-methylphenoxy)pentanoic acid
CID 62214144
2,3-bis(4-methylphenoxy)propan-1-ol
CID 3031029
1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
CID 59273396
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methylphenoxy)propylphosphane?
The IUPAC name of 3,3-bis(4-methylphenoxy)propylphosphane (CID 155662806) is 3,3-bis(4-methylphenoxy)propylphosphane.
What is the SMILES notation for 3,3-bis(4-methylphenoxy)propylphosphane?
The canonical SMILES for 3,3-bis(4-methylphenoxy)propylphosphane is Cc1ccc(OC(CCP)Oc2ccc(C)cc2)cc1.
What is the InChIKey of 3,3-bis(4-methylphenoxy)propylphosphane?
The InChIKey is VTDCWZUYTPOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c1-13-3-7-15(8-4-13)18-17(11-12-20)19-16-9-5-14(2)6-10-16/h3-10,17H,11-12,20H2,1-2H3.
What are the key properties of 3,3-bis(4-methylphenoxy)propylphosphane?
3,3-bis(4-methylphenoxy)propylphosphane has a molecular weight of 288.33 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methylphenoxy)propylphosphane is sourced from PubChem (CID 155662806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).