5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one

C16H22O2Te — CID 12654972

IUPAC5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one
SMILESCC1CCC(C(C)(O)C[Te]c2ccccc2)CC1=O
InChIInChI=1S/C16H22O2Te/c1-12-8-9-13(10-15(12)17)16(2,18)11-19-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyWJRXLSPCGPRRID-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.19
Rot. Bonds4

About 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one

5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one (PubChem CID 12654972) has the molecular formula C16H22O2Te and a molecular weight of 373.95 g/mol. Its IUPAC name is 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one
PubChem CID12654972
Molecular FormulaC16H22O2Te
Molecular Weight373.95 g/mol
Exact Mass376.07
IUPAC Name5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one
SMILESCC1CCC(C(C)(O)C[Te]c2ccccc2)CC1=O
InChIInChI=1S/C16H22O2Te/c1-12-8-9-13(10-15(12)17)16(2,18)11-19-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyWJRXLSPCGPRRID-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fencibutirol
CID 71170
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
CID 24371
4-Phenyl-cyclohexanecarboxylic acid
CID 344812
5-(4-Biphenylyl)-3-methylvaleric acid
CID 151102
Ethanone, 1-(1-hydroxy-4-phenylcyclohexyl)-
CID 193111
Benzenebutanoic acid, 4-cyclohexyl-
CID 3041568
4,4-Diphenylbutanoic acid
CID 274383
4-Hydroxy-4-[4-(propan-2-yl)phenyl]cyclohexan-1-one
CID 21528177
4-Benzylcyclohexane-1-carboxylic acid
CID 21465095
(2-Oxo-3-phenylcyclohexyl)acetic acid
CID 653292
(1S,6S)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxylic acid
CID 155935846
(1R,6R)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxylic acid
CID 156011864

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one?
The IUPAC name of 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one (CID 12654972) is 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one?
The canonical SMILES for 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one is CC1CCC(C(C)(O)C[Te]c2ccccc2)CC1=O.
What is the InChIKey of 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one?
The InChIKey is WJRXLSPCGPRRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2Te/c1-12-8-9-13(10-15(12)17)16(2,18)11-19-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3.
What are the key properties of 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one?
5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one has a molecular weight of 373.95 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-1-phenyltellanylpropan-2-yl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 12654972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).