6-chloro-3-phenyl-2-trimethylsilylinden-1-one

C18H17ClOSi — CID 102078597

IUPAC6-chloro-3-phenyl-2-trimethylsilylinden-1-one
SMILESC[Si](C)(C)C1=C(c2ccccc2)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C18H17ClOSi/c1-21(2,3)18-16(12-7-5-4-6-8-12)14-10-9-13(19)11-15(14)17(18)20/h4-11H,1-3H3
InChIKeyRIYHDTDPKQTIOL-UHFFFAOYSA-N
MW312.87 g/mol
LogP5.22
Rot. Bonds2

About 6-chloro-3-phenyl-2-trimethylsilylinden-1-one

6-chloro-3-phenyl-2-trimethylsilylinden-1-one (PubChem CID 102078597) has the molecular formula C18H17ClOSi and a molecular weight of 312.87 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2-trimethylsilylinden-1-one.

Molecular Properties

Compound Name6-chloro-3-phenyl-2-trimethylsilylinden-1-one
PubChem CID102078597
Molecular FormulaC18H17ClOSi
Molecular Weight312.87 g/mol
Exact Mass312.07
IUPAC Name6-chloro-3-phenyl-2-trimethylsilylinden-1-one
SMILESC[Si](C)(C)C1=C(c2ccccc2)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C18H17ClOSi/c1-21(2,3)18-16(12-7-5-4-6-8-12)14-10-9-13(19)11-15(14)17(18)20/h4-11H,1-3H3
InChIKeyRIYHDTDPKQTIOL-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.87
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
7-chloro-2,3-diphenyl-4-sulfanylidenenaphthalen-1-one
CID 88621365
trimethyl-(1-methylidene-3-phenylinden-2-yl)silane
CID 102084472
3-chlorophenanthrene-9,10-dione
CID 67151037
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
6-chloro-1,1-dimethyl-3,4-diphenylisochromene
CID 56839038
2-chloro-7-iodofluoren-9-one
CID 86047410
5-chloro-3-phenylindol-2-one
CID 70511404
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2,5-bis(3,4-diphenylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 166446387

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2-trimethylsilylinden-1-one?
The IUPAC name of 6-chloro-3-phenyl-2-trimethylsilylinden-1-one (CID 102078597) is 6-chloro-3-phenyl-2-trimethylsilylinden-1-one.
What is the SMILES notation for 6-chloro-3-phenyl-2-trimethylsilylinden-1-one?
The canonical SMILES for 6-chloro-3-phenyl-2-trimethylsilylinden-1-one is C[Si](C)(C)C1=C(c2ccccc2)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 6-chloro-3-phenyl-2-trimethylsilylinden-1-one?
The InChIKey is RIYHDTDPKQTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClOSi/c1-21(2,3)18-16(12-7-5-4-6-8-12)14-10-9-13(19)11-15(14)17(18)20/h4-11H,1-3H3.
What are the key properties of 6-chloro-3-phenyl-2-trimethylsilylinden-1-one?
6-chloro-3-phenyl-2-trimethylsilylinden-1-one has a molecular weight of 312.87 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-2-trimethylsilylinden-1-one is sourced from PubChem (CID 102078597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).