2-propan-2-ylsulfanylfluoren-1-one

C16H14OS — CID 151307150

IUPAC2-propan-2-ylsulfanylfluoren-1-one
SMILESCC(C)SC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C16H14OS/c1-10(2)18-15-8-7-13-12-6-4-3-5-11(12)9-14(13)16(15)17/h3-10H,1-2H3
InChIKeyODQRVKILGZQBIJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.08
Rot. Bonds2

About 2-propan-2-ylsulfanylfluoren-1-one

2-propan-2-ylsulfanylfluoren-1-one (PubChem CID 151307150) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylfluoren-1-one.

Molecular Properties

Compound Name2-propan-2-ylsulfanylfluoren-1-one
PubChem CID151307150
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name2-propan-2-ylsulfanylfluoren-1-one
SMILESCC(C)SC1=CC=C2C(=Cc3ccccc32)C1=O
InChIInChI=1S/C16H14OS/c1-10(2)18-15-8-7-13-12-6-4-3-5-11(12)9-14(13)16(15)17/h3-10H,1-2H3
InChIKeyODQRVKILGZQBIJ-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2H-pyridin-1-yl)fluoren-1-one
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2-phenylinden-1-one
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2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-1-one
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2,3-dimethylbutane-2,3-diol;fluoren-1-one
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fluoren-1-one;1-phenylethanone
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2-nitro-N-(2-propan-2-ylphenyl)fluoren-1-imine
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3-(2-methylpropanoyl)naphthalene-1,2-dione
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17-methylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-12-one
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylfluoren-1-one?
The IUPAC name of 2-propan-2-ylsulfanylfluoren-1-one (CID 151307150) is 2-propan-2-ylsulfanylfluoren-1-one.
What is the SMILES notation for 2-propan-2-ylsulfanylfluoren-1-one?
The canonical SMILES for 2-propan-2-ylsulfanylfluoren-1-one is CC(C)SC1=CC=C2C(=Cc3ccccc32)C1=O.
What is the InChIKey of 2-propan-2-ylsulfanylfluoren-1-one?
The InChIKey is ODQRVKILGZQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-10(2)18-15-8-7-13-12-6-4-3-5-11(12)9-14(13)16(15)17/h3-10H,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylfluoren-1-one?
2-propan-2-ylsulfanylfluoren-1-one has a molecular weight of 254.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylfluoren-1-one is sourced from PubChem (CID 151307150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).