5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one

C23H28O4 — CID 68861590

IUPAC5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C(COCc2ccccc2)OCc2ccccc2)OC1=O
InChIInChI=1S/C23H28O4/c1-17(2)20-13-21(27-23(20)24)22(26-15-19-11-7-4-8-12-19)16-25-14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3
InChIKeyRSZZAKJQTAKYGG-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.38
Rot. Bonds9

About 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one

5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one (PubChem CID 68861590) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one
PubChem CID68861590
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C(COCc2ccccc2)OCc2ccccc2)OC1=O
InChIInChI=1S/C23H28O4/c1-17(2)20-13-21(27-23(20)24)22(26-15-19-11-7-4-8-12-19)16-25-14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3
InChIKeyRSZZAKJQTAKYGG-UHFFFAOYSA-N
XLogP4.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
tert-butyl N-methyl-N-[1-(5-oxo-4-propan-2-yloxolan-2-yl)-2-phenylmethoxyethyl]carbamate
CID 69199249
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
CID 66645562
(3aR,5S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 69191047
(3S)-5-[(1S)-2-[(3,5-difluorophenyl)methoxy]-1-(methylamino)ethyl]-3-propan-2-yloxolan-2-one
CID 145469310
(4R,5R,6R)-6-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-2-one
CID 10896942
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
tert-butyl N-[1-[3-[[2-amino-2-(5-oxo-4-propan-2-yloxolan-2-yl)ethoxy]methyl]phenyl]ethyl]carbamate
CID 145469318
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435

Frequently Asked Questions

What is the IUPAC name of 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one (CID 68861590) is 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one is CC(C)C1CC(C(COCc2ccccc2)OCc2ccccc2)OC1=O.
What is the InChIKey of 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one?
The InChIKey is RSZZAKJQTAKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-17(2)20-13-21(27-23(20)24)22(26-15-19-11-7-4-8-12-19)16-25-14-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3.
What are the key properties of 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one?
5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one has a molecular weight of 368.47 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 68861590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).