5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

C20H22O4 — CID 172801831

IUPAC5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCC1(COCc2ccccc2)CC(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)12-18(19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyQYWNIHBEXDKLFO-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.49
Rot. Bonds7

About 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 172801831) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID172801831
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCC1(COCc2ccccc2)CC(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)12-18(19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyQYWNIHBEXDKLFO-UHFFFAOYSA-N
XLogP3.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
CID 101105537
(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857
(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
CID 102062905
2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one
CID 10733884
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 59226813
CID 123841413
CID 123841413
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 172801831) is 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is CC1(COCc2ccccc2)CC(OCc2ccccc2)C(=O)O1.
What is the InChIKey of 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is QYWNIHBEXDKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(15-22-13-16-8-4-2-5-9-16)12-18(19(21)24-20)23-14-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 326.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 172801831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).