3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol

C15H21OPS — CID 23658981

IUPAC3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol
SMILESCC(C)P(=S)(C1=C(O)Cc2ccccc21)C(C)C
InChIInChI=1S/C15H21OPS/c1-10(2)17(18,11(3)4)15-13-8-6-5-7-12(13)9-14(15)16/h5-8,10-11,16H,9H2,1-4H3
InChIKeySFYUBJGNFNKTIJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.77
Rot. Bonds3

About 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol

3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol (PubChem CID 23658981) has the molecular formula C15H21OPS and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol.

Molecular Properties

Compound Name3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol
PubChem CID23658981
Molecular FormulaC15H21OPS
Molecular Weight280.37 g/mol
Exact Mass280.11
IUPAC Name3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol
SMILESCC(C)P(=S)(C1=C(O)Cc2ccccc21)C(C)C
InChIInChI=1S/C15H21OPS/c1-10(2)17(18,11(3)4)15-13-8-6-5-7-12(13)9-14(15)16/h5-8,10-11,16H,9H2,1-4H3
InChIKeySFYUBJGNFNKTIJ-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-indenol
CID 11159412
1-(2-Methylphenyl)-2-methyl-2-propanol
CID 11958937
1H-Inden-2-ol
CID 13496774
1H-inden-2-ol;trifluoromethanethiol
CID 164582111
1-fluoro-1H-inden-2-ol
CID 174381706
2-methoxy-1H-indene
CID 629419
1-[(2-Methylphenyl)methyl]cyclohexan-1-ol
CID 21727066
1H-inden-2-olate
CID 57719371
CID 11642445
CID 11642445
2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol
CID 135053596
2-Methyl-1-[2-(2-methyl-2-sulfanylpropyl)phenyl]-2-propanol
CID 10514116
2-[2-[(E)-pent-3-enyl]phenyl]ethanol
CID 10888743

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol?
The IUPAC name of 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol (CID 23658981) is 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol.
What is the SMILES notation for 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol?
The canonical SMILES for 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol is CC(C)P(=S)(C1=C(O)Cc2ccccc21)C(C)C.
What is the InChIKey of 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol?
The InChIKey is SFYUBJGNFNKTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21OPS/c1-10(2)17(18,11(3)4)15-13-8-6-5-7-12(13)9-14(15)16/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol?
3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol has a molecular weight of 280.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yl)phosphinothioyl-1H-inden-2-ol is sourced from PubChem (CID 23658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).