2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone

C14H16O2Si — CID 173241984

IUPAC2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone
SMILESO=C([SiH3])C(O)(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C14H16O2Si/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9,12,16H,10H2,17H3
InChIKeyMMEDWSABHJLMAL-UHFFFAOYSA-N
MW244.37 g/mol
LogP0.90
Rot. Bonds3

About 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone

2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone (PubChem CID 173241984) has the molecular formula C14H16O2Si and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone
PubChem CID173241984
Molecular FormulaC14H16O2Si
Molecular Weight244.37 g/mol
Exact Mass244.09
IUPAC Name2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone
SMILESO=C([SiH3])C(O)(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C14H16O2Si/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9,12,16H,10H2,17H3
InChIKeyMMEDWSABHJLMAL-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 50.90
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

cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol
CID 67987322
2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 144597189
2-cyclopropyl-2-hydroxy-1,2-diphenylethanone
CID 69294173
[12-[amino(hydroxy)phosphoryl]-2-cyclohexa-2,4-dien-1-yl-7-oxo-12-phenyltridecan-2-yl]phosphonamidic acid
CID 143079815
3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
CID 151227666
2-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-2H-triazol-1-yl]acetonitrile
CID 139432640
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
CID 163514556
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
[2,5-bis(1-ethoxyethoxy)-4-[hydroxy(diphenyl)methyl]phenyl]-cyclohexa-2,4-dien-1-yl-phenylmethanol
CID 89324442
(2R)-2-cyclohexa-2,4-dien-1-yl-3,3,3-trifluoro-2-methoxypropanoic acid
CID 71165416
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone (CID 173241984) is 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone is O=C([SiH3])C(O)(c1ccccc1)C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone?
The InChIKey is MMEDWSABHJLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Si/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9,12,16H,10H2,17H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone?
2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone has a molecular weight of 244.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-2-hydroxy-2-phenyl-1-silylethanone is sourced from PubChem (CID 173241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).