1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one

C15H19IO2 — CID 123725623

IUPAC1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
SMILESCC(=O)C(O)(c1ccccc1I)C1CCCCC1
InChIInChI=1S/C15H19IO2/c1-11(17)15(18,12-7-3-2-4-8-12)13-9-5-6-10-14(13)16/h5-6,9-10,12,18H,2-4,7-8H2,1H3
InChIKeyLRRIDIGRCAHSNL-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.65
Rot. Bonds3

About 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one

1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one (PubChem CID 123725623) has the molecular formula C15H19IO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
PubChem CID123725623
Molecular FormulaC15H19IO2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
SMILESCC(=O)C(O)(c1ccccc1I)C1CCCCC1
InChIInChI=1S/C15H19IO2/c1-11(17)15(18,12-7-3-2-4-8-12)13-9-5-6-10-14(13)16/h5-6,9-10,12,18H,2-4,7-8H2,1H3
InChIKeyLRRIDIGRCAHSNL-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
CID 67469384
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
1,1-dicyclohexyl-1-hydroxypropan-2-one
CID 102386350
methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
CID 66958994
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one
CID 69366891
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one (CID 123725623) is 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one is CC(=O)C(O)(c1ccccc1I)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one?
The InChIKey is LRRIDIGRCAHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO2/c1-11(17)15(18,12-7-3-2-4-8-12)13-9-5-6-10-14(13)16/h5-6,9-10,12,18H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one?
1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one has a molecular weight of 358.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one is sourced from PubChem (CID 123725623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).