[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane

C22H21P — CID 59903542

IUPAC[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane
SMILESCc1cccc2c1[C@@H](P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H21P/c1-17-9-8-10-18-15-16-21(22(17)18)23(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-14,21H,15-16H2,1H3/t21-/m0/s1
InChIKeyPINOZFYPXCXLLY-NRFANRHFSA-N
MW316.38 g/mol
LogP5.12
Rot. Bonds3

About [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane

[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane (PubChem CID 59903542) has the molecular formula C22H21P and a molecular weight of 316.38 g/mol. Its IUPAC name is [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane
PubChem CID59903542
Molecular FormulaC22H21P
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane
SMILESCc1cccc2c1[C@@H](P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H21P/c1-17-9-8-10-18-15-16-21(22(17)18)23(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-14,21H,15-16H2,1H3/t21-/m0/s1
InChIKeyPINOZFYPXCXLLY-NRFANRHFSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane?
The IUPAC name of [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane (CID 59903542) is [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane.
What is the SMILES notation for [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane?
The canonical SMILES for [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane is Cc1cccc2c1[C@@H](P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane?
The InChIKey is PINOZFYPXCXLLY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21P/c1-17-9-8-10-18-15-16-21(22(17)18)23(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-14,21H,15-16H2,1H3/t21-/m0/s1.
What are the key properties of [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane?
[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane has a molecular weight of 316.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane is sourced from PubChem (CID 59903542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).