(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one

C20H22O4 — CID 146795417

IUPAC(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
SMILESCC1OCC(OCc2ccccc2)C(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18,20H,12-14H2,1H3/t15?,18?,20-/m1/s1
InChIKeyRWQSZPLQVBZTMH-PKUWUEBNSA-N
MW326.39 g/mol
LogP3.14
Rot. Bonds6

About (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one

(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one (PubChem CID 146795417) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one.

Molecular Properties

Compound Name(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
PubChem CID146795417
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one
SMILESCC1OCC(OCc2ccccc2)C(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18,20H,12-14H2,1H3/t15?,18?,20-/m1/s1
InChIKeyRWQSZPLQVBZTMH-PKUWUEBNSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(3R)-3-phenylmethoxyoxan-4-one
CID 59445816
[(3S,6S,7S,8S,9S)-6,9-dimethyl-2-oxo-7,8-bis(phenylmethoxy)-1,5-dioxonan-3-yl]azanium
CID 140620673
(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane
CID 167192041
3-hydroxy-2-(hydroxymethyl)-5-phenylmethoxycyclopentan-1-one
CID 123567944
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
(2R,3aR)-4-methyl-2-phenyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134582152
(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one?
The IUPAC name of (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one (CID 146795417) is (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one.
What is the SMILES notation for (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one?
The canonical SMILES for (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one is CC1OCC(OCc2ccccc2)C(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one?
The InChIKey is RWQSZPLQVBZTMH-PKUWUEBNSA-N. The full InChI is InChI=1S/C20H22O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18,20H,12-14H2,1H3/t15?,18?,20-/m1/s1.
What are the key properties of (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one?
(3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one has a molecular weight of 326.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-one is sourced from PubChem (CID 146795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).