(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one

C25H24F2O3Si — CID 132535376

IUPAC(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one
SMILESC[Si](C)(C)OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CC(=O)Oc2ccccc21
InChIInChI=1S/C25H24F2O3Si/c1-31(2,3)30-25(17-8-12-19(26)13-9-17,18-10-14-20(27)15-11-18)22-16-24(28)29-23-7-5-4-6-21(22)23/h4-15,22H,16H2,1-3H3/t22-/m1/s1
InChIKeyRBKNPPDZDGZHPZ-JOCHJYFZSA-N
MW438.55 g/mol
LogP6.15
Rot. Bonds5

About (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one

(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one (PubChem CID 132535376) has the molecular formula C25H24F2O3Si and a molecular weight of 438.55 g/mol. Its IUPAC name is (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one
PubChem CID132535376
Molecular FormulaC25H24F2O3Si
Molecular Weight438.55 g/mol
Exact Mass438.15
IUPAC Name(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one
SMILESC[Si](C)(C)OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CC(=O)Oc2ccccc21
InChIInChI=1S/C25H24F2O3Si/c1-31(2,3)30-25(17-8-12-19(26)13-9-17,18-10-14-20(27)15-11-18)22-16-24(28)29-23-7-5-4-6-21(22)23/h4-15,22H,16H2,1-3H3/t22-/m1/s1
InChIKeyRBKNPPDZDGZHPZ-JOCHJYFZSA-N
XLogP6.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphoryl-3,4-dihydrochromen-2-one
CID 11150288
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CID 101159608
(4S)-4-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-oxo-1,4-dioxan-2-yl]-3,4-dihydrochromen-2-one
CID 11551760
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CID 129168523
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one
CID 167436354
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
2-(4-fluorophenyl)-4-methyl-4H-chromene
CID 70356330
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CID 97266734
(4-tert-butylphenyl) 9H-xanthene-9-carboxylate
CID 2801648
2-ethyl-3-(4-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174678006
4-[2-(4-methylphenyl)-2-oxoethyl]-3,4-dihydrochromen-2-one
CID 102279128

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one (CID 132535376) is (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one is C[Si](C)(C)OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CC(=O)Oc2ccccc21.
What is the InChIKey of (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one?
The InChIKey is RBKNPPDZDGZHPZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24F2O3Si/c1-31(2,3)30-25(17-8-12-19(26)13-9-17,18-10-14-20(27)15-11-18)22-16-24(28)29-23-7-5-4-6-21(22)23/h4-15,22H,16H2,1-3H3/t22-/m1/s1.
What are the key properties of (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one?
(4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one has a molecular weight of 438.55 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[bis(4-fluorophenyl)-trimethylsilyloxymethyl]-3,4-dihydrochromen-2-one is sourced from PubChem (CID 132535376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).