acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid

C11H13O4P — CID 118298805

IUPACacetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid
SMILESCC(=O)P(=O)(O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H13O4P/c1-8(12)16(13,14)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H,13,14)
InChIKeyRLMYEEOLALPYRD-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.90
Rot. Bonds3

About acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid

acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid (PubChem CID 118298805) has the molecular formula C11H13O4P and a molecular weight of 240.19 g/mol. Its IUPAC name is acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameacetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid
PubChem CID118298805
Molecular FormulaC11H13O4P
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Nameacetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid
SMILESCC(=O)P(=O)(O)OC1Cc2ccccc2C1
InChIInChI=1S/C11H13O4P/c1-8(12)16(13,14)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H,13,14)
InChIKeyRLMYEEOLALPYRD-UHFFFAOYSA-N
XLogP1.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
(E)-3-(2,3-dihydro-1H-inden-2-yloxy)pent-3-en-2-one
CID 145479052
[(2R,3R)-3-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 170177717
2,3-dihydro-1H-inden-2-yl prop-2-enoate;rhodium
CID 163826036
O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 68506766
2,3-dihydro-1H-inden-2-yl (E)-2-ethylbut-2-enoate
CID 174350360
[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium
CID 7714777
methyl (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 101383894
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
CID 19782175
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2303227
2-(2,3-dihydro-1H-inden-2-yloxy)-2-oxoethanesulfonic acid
CID 121308546
2,3-dihydro-1H-inden-2-yl ethyl [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] phosphate
CID 174245778

Frequently Asked Questions

What is the IUPAC name of acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid?
The IUPAC name of acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid (CID 118298805) is acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid.
What is the SMILES notation for acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid?
The canonical SMILES for acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid is CC(=O)P(=O)(O)OC1Cc2ccccc2C1.
What is the InChIKey of acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid?
The InChIKey is RLMYEEOLALPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4P/c1-8(12)16(13,14)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H,13,14).
What are the key properties of acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid?
acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid has a molecular weight of 240.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(2,3-dihydro-1H-inden-2-yloxy)phosphinic acid is sourced from PubChem (CID 118298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).