(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one

C19H18O5 — CID 11324853

IUPAC(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one
SMILESCOc1ccccc1C(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1
InChIInChI=1S/C19H18O5/c1-22-15-10-6-5-9-14(15)17(20)18-16(23-19(21)24-18)12-11-13-7-3-2-4-8-13/h2-10,16,18H,11-12H2,1H3/t16-,18+/m0/s1
InChIKeySKLQJPJXSBFLHS-FUHWJXTLSA-N
MW326.35 g/mol
LogP3.41
Rot. Bonds6

About (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one

(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one (PubChem CID 11324853) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one
PubChem CID11324853
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one
SMILESCOc1ccccc1C(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1
InChIInChI=1S/C19H18O5/c1-22-15-10-6-5-9-14(15)17(20)18-16(23-19(21)24-18)12-11-13-7-3-2-4-8-13/h2-10,16,18H,11-12H2,1H3/t16-,18+/m0/s1
InChIKeySKLQJPJXSBFLHS-FUHWJXTLSA-N
XLogP3.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate
CID 11186922
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
CID 11021385
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
3-(2-methoxybenzoyl)oxan-4-one
CID 169498745
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one (CID 11324853) is (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one is COc1ccccc1C(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1.
What is the InChIKey of (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one?
The InChIKey is SKLQJPJXSBFLHS-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H18O5/c1-22-15-10-6-5-9-14(15)17(20)18-16(23-19(21)24-18)12-11-13-7-3-2-4-8-13/h2-10,16,18H,11-12H2,1H3/t16-,18+/m0/s1.
What are the key properties of (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one?
(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one has a molecular weight of 326.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11324853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).