1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol

C21H20NOP — CID 4270592

IUPAC1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c23-20-15-16-9-7-8-14-19(16)21(20)22-24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20-23H,15H2
InChIKeyPXDHAXMBTGRJMA-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.28
Rot. Bonds4

About 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol

1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 4270592) has the molecular formula C21H20NOP and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID4270592
Molecular FormulaC21H20NOP
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccccc2C1NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c23-20-15-16-9-7-8-14-19(16)21(20)22-24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20-23H,15H2
InChIKeyPXDHAXMBTGRJMA-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.28
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

(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
CID 132513866
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 131111215
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 97237159
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
CID 103816948
CID 166444081
CID 166444081

Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol (CID 4270592) is 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccccc2C1NP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is PXDHAXMBTGRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NOP/c23-20-15-16-9-7-8-14-19(16)21(20)22-24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20-23H,15H2.
What are the key properties of 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol?
1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 333.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 4270592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).