bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium

C18H18O3P+ — CID 23365116

IUPACbis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium
SMILESO=[P+](Oc1ccc2c(c1)CCC2)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O3P/c19-22(20-17-9-7-13-3-1-5-15(13)11-17)21-18-10-8-14-4-2-6-16(14)12-18/h7-12H,1-6H2/q+1
InChIKeyPPZAEMLKPDCCHU-UHFFFAOYSA-N
MW313.31 g/mol
LogP4.78
Rot. Bonds4

About bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium

bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium (PubChem CID 23365116) has the molecular formula C18H18O3P+ and a molecular weight of 313.31 g/mol. Its IUPAC name is bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium
PubChem CID23365116
Molecular FormulaC18H18O3P+
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namebis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium
SMILESO=[P+](Oc1ccc2c(c1)CCC2)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O3P/c19-22(20-17-9-7-13-3-1-5-15(13)11-17)21-18-10-8-14-4-2-6-16(14)12-18/h7-12H,1-6H2/q+1
InChIKeyPPZAEMLKPDCCHU-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl hydrogen sulfate
CID 131851340
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
5-[(Z)-prop-1-enoxy]-2,3-dihydro-1H-indene
CID 643900
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)but-2-enoic acid
CID 62344099
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium?
The IUPAC name of bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium (CID 23365116) is bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium.
What is the SMILES notation for bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium?
The canonical SMILES for bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium is O=[P+](Oc1ccc2c(c1)CCC2)Oc1ccc2c(c1)CCC2.
What is the InChIKey of bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium?
The InChIKey is PPZAEMLKPDCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3P/c19-22(20-17-9-7-13-3-1-5-15(13)11-17)21-18-10-8-14-4-2-6-16(14)12-18/h7-12H,1-6H2/q+1.
What are the key properties of bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium?
bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium has a molecular weight of 313.31 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1H-inden-5-yloxy)-oxophosphanium is sourced from PubChem (CID 23365116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).