[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium

C10H10O4P+ — CID 7720814

IUPAC[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
SMILESO=C(O)[C@H]1c2ccccc2C[C@@H]1[P+](=O)O
InChIInChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/p+1/t8-,9-/m0/s1
InChIKeyBSUSNOFAXQHJIT-IUCAKERBSA-O
MW225.16 g/mol
LogP1.51
Rot. Bonds2

About [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium

[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium (PubChem CID 7720814) has the molecular formula C10H10O4P+ and a molecular weight of 225.16 g/mol. Its IUPAC name is [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
PubChem CID7720814
Molecular FormulaC10H10O4P+
Molecular Weight225.16 g/mol
Exact Mass225.03
IUPAC Name[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
SMILESO=C(O)[C@H]1c2ccccc2C[C@@H]1[P+](=O)O
InChIInChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/p+1/t8-,9-/m0/s1
InChIKeyBSUSNOFAXQHJIT-IUCAKERBSA-O
XLogP1.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate
CID 7720818
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S,2S)-2-[(dimethylamino)methyl-hydroxyphosphoryl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 7714837
CID 173274923
CID 173274923
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium?
The IUPAC name of [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium (CID 7720814) is [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium?
The canonical SMILES for [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium is O=C(O)[C@H]1c2ccccc2C[C@@H]1[P+](=O)O.
What is the InChIKey of [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium?
The InChIKey is BSUSNOFAXQHJIT-IUCAKERBSA-O. The full InChI is InChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/p+1/t8-,9-/m0/s1.
What are the key properties of [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium?
[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium has a molecular weight of 225.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium is sourced from PubChem (CID 7720814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).