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

C22H21P — CID 59903549

IUPAC(7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane
SMILESCc1cccc2c1C(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
InChIKeyPINOZFYPXCXLLY-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.12
Rot. Bonds3

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

(7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane (PubChem CID 59903549) has the molecular formula C22H21P and a molecular weight of 316.38 g/mol. Its IUPAC name is (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane
PubChem CID59903549
Molecular FormulaC22H21P
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name(7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane
SMILESCc1cccc2c1C(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
InChIKeyPINOZFYPXCXLLY-UHFFFAOYSA-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 (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane?
The IUPAC name of (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane (CID 59903549) is (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane.
What is the SMILES notation for (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane?
The canonical SMILES for (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane is Cc1cccc2c1C(P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane?
The InChIKey is PINOZFYPXCXLLY-UHFFFAOYSA-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.
What are the key properties of (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane?
(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 (7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane is sourced from PubChem (CID 59903549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).