bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane

C24H40O4P2 — CID 142028900

IUPACbis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
SMILESCOc1cccc(OC)c1C(C)C.COc1cccc(OC)c1C(C)C.PCCP
InChIInChI=1S/2C11H16O2.C2H8P2/c2*1-8(2)11-9(12-3)6-5-7-10(11)13-4;3-1-2-4/h2*5-8H,1-4H3;1-4H2
InChIKeyPTZUMPXHYHKSGH-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.39
Rot. Bonds7

About bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane

bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane (PubChem CID 142028900) has the molecular formula C24H40O4P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane.

Molecular Properties

Compound Namebis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
PubChem CID142028900
Molecular FormulaC24H40O4P2
Molecular Weight454.53 g/mol
Exact Mass454.24
IUPAC Namebis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
SMILESCOc1cccc(OC)c1C(C)C.COc1cccc(OC)c1C(C)C.PCCP
InChIInChI=1S/2C11H16O2.C2H8P2/c2*1-8(2)11-9(12-3)6-5-7-10(11)13-4;3-1-2-4/h2*5-8H,1-4H3;1-4H2
InChIKeyPTZUMPXHYHKSGH-UHFFFAOYSA-N
XLogP6.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane 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

1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
1-isocyano-3-methoxy-2-propan-2-ylbenzene
CID 156685675
2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117297916
4-(3-methoxy-2-propan-2-ylphenoxy)benzonitrile
CID 69455787
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
3,3-bis(2-methoxyphenyl)propylphosphane
CID 57073175

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane?
The IUPAC name of bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane (CID 142028900) is bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane.
What is the SMILES notation for bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane?
The canonical SMILES for bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane is COc1cccc(OC)c1C(C)C.COc1cccc(OC)c1C(C)C.PCCP.
What is the InChIKey of bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane?
The InChIKey is PTZUMPXHYHKSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O2.C2H8P2/c2*1-8(2)11-9(12-3)6-5-7-10(11)13-4;3-1-2-4/h2*5-8H,1-4H3;1-4H2.
What are the key properties of bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane?
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane has a molecular weight of 454.53 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane is sourced from PubChem (CID 142028900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).