[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane

C23H30Cl2O2P2 — CID 58900679

IUPAC[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2P(Cl)Cl)cc1C
InChIInChI=1S/C23H30Cl2O2P2/c1-14-10-18(11-15(2)22(14)26-5)28(20-8-7-9-21(20)29(24)25)19-12-16(3)23(27-6)17(4)13-19/h10-13,20-21H,7-9H2,1-6H3
InChIKeyYAJCXWHNIQYYTB-UHFFFAOYSA-N
MW471.35 g/mol
LogP7.08
Rot. Bonds6

About [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane

[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane (PubChem CID 58900679) has the molecular formula C23H30Cl2O2P2 and a molecular weight of 471.35 g/mol. Its IUPAC name is [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane.

Molecular Properties

Compound Name[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
PubChem CID58900679
Molecular FormulaC23H30Cl2O2P2
Molecular Weight471.35 g/mol
Exact Mass470.11
IUPAC Name[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2P(Cl)Cl)cc1C
InChIInChI=1S/C23H30Cl2O2P2/c1-14-10-18(11-15(2)22(14)26-5)28(20-8-7-9-21(20)29(24)25)19-12-16(3)23(27-6)17(4)13-19/h10-13,20-21H,7-9H2,1-6H3
InChIKeyYAJCXWHNIQYYTB-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane?
The IUPAC name of [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane (CID 58900679) is [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane.
What is the SMILES notation for [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane?
The canonical SMILES for [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2P(Cl)Cl)cc1C.
What is the InChIKey of [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane?
The InChIKey is YAJCXWHNIQYYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2O2P2/c1-14-10-18(11-15(2)22(14)26-5)28(20-8-7-9-21(20)29(24)25)19-12-16(3)23(27-6)17(4)13-19/h10-13,20-21H,7-9H2,1-6H3.
What are the key properties of [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane?
[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane has a molecular weight of 471.35 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane is sourced from PubChem (CID 58900679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).