(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one

C18H15F3O3 — CID 102284704

IUPAC(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O3/c1-23-14-9-7-12(8-10-14)15-11-16(22)24-17(15,18(19,20)21)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyPYZUGPCAQDOXDX-DOTOQJQBSA-N
MW336.31 g/mol
LogP4.18
Rot. Bonds3

About (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one

(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 102284704) has the molecular formula C18H15F3O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID102284704
Molecular FormulaC18H15F3O3
Molecular Weight336.31 g/mol
Exact Mass336.10
IUPAC Name(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O3/c1-23-14-9-7-12(8-10-14)15-11-16(22)24-17(15,18(19,20)21)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyPYZUGPCAQDOXDX-DOTOQJQBSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-3-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-4H-1,2-oxazole
CID 73295001
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
CID 15356108
1-[(1S,2S)-2-(bromomethyl)-2-(trifluoromethyl)cyclopropyl]-4-methoxybenzene
CID 167116983
2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 2931438
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
4-methyl-3-phenyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 154720302
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
(4R,5S)-5-benzoyl-4,5-diphenyloxolan-2-one
CID 101447740

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one (CID 102284704) is (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one is COc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is PYZUGPCAQDOXDX-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H15F3O3/c1-23-14-9-7-12(8-10-14)15-11-16(22)24-17(15,18(19,20)21)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,17+/m0/s1.
What are the key properties of (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 336.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 102284704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).