1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane

C33H36P2 — CID 90110759

IUPAC1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane
SMILESCC1(c2ccccc2)CCCP1c1ccccc1.c1ccc(C2CCCP2c2ccccc2)cc1
InChIInChI=1S/C17H19P.C16H17P/c1-17(15-9-4-2-5-10-15)13-8-14-18(17)16-11-6-3-7-12-16;1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h2-7,9-12H,8,13-14H2,1H3;1-6,8-11,16H,7,12-13H2
InChIKeyJACLUOCSBHWJHR-UHFFFAOYSA-N
MW494.60 g/mol
LogP8.83
Rot. Bonds4

About 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane

1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane (PubChem CID 90110759) has the molecular formula C33H36P2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane.

Molecular Properties

Compound Name1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane
PubChem CID90110759
Molecular FormulaC33H36P2
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane
SMILESCC1(c2ccccc2)CCCP1c1ccccc1.c1ccc(C2CCCP2c2ccccc2)cc1
InChIInChI=1S/C17H19P.C16H17P/c1-17(15-9-4-2-5-10-15)13-8-14-18(17)16-11-6-3-7-12-16;1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h2-7,9-12H,8,13-14H2,1H3;1-6,8-11,16H,7,12-13H2
InChIKeyJACLUOCSBHWJHR-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane?
The IUPAC name of 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane (CID 90110759) is 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane.
What is the SMILES notation for 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane?
The canonical SMILES for 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane is CC1(c2ccccc2)CCCP1c1ccccc1.c1ccc(C2CCCP2c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane?
The InChIKey is JACLUOCSBHWJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19P.C16H17P/c1-17(15-9-4-2-5-10-15)13-8-14-18(17)16-11-6-3-7-12-16;1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h2-7,9-12H,8,13-14H2,1H3;1-6,8-11,16H,7,12-13H2.
What are the key properties of 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane?
1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane has a molecular weight of 494.60 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane is sourced from PubChem (CID 90110759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).