[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate

C20H22O4 — CID 175638975

IUPAC[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
SMILESO=C(OC[C@@H]1CCO[C@H]1COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O4/c21-20(17-9-5-2-6-10-17)24-14-18-11-12-23-19(18)15-22-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-,19-/m0/s1
InChIKeyRNXYVFWCIVZCPN-OALUTQOASA-N
MW326.39 g/mol
LogP3.47
Rot. Bonds7

About [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate

[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate (PubChem CID 175638975) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
PubChem CID175638975
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
SMILESO=C(OC[C@@H]1CCO[C@H]1COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O4/c21-20(17-9-5-2-6-10-17)24-14-18-11-12-23-19(18)15-22-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-,19-/m0/s1
InChIKeyRNXYVFWCIVZCPN-OALUTQOASA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
(3-acetyloxyoxolan-2-yl)methyl benzoate
CID 142930577
[(2S,3R)-2-[(4-bromophenyl)methoxymethyl]-5-methoxyoxolan-3-yl]methyl benzoate
CID 14840714
[(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 71313933
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836
[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(2S,3S,4R)-4,5-dihydroxy-3-(2-phenylmethoxyethyl)oxolan-2-yl]methyl benzoate
CID 155766264
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The IUPAC name of [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate (CID 175638975) is [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The canonical SMILES for [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate is O=C(OC[C@@H]1CCO[C@H]1COCc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
The InChIKey is RNXYVFWCIVZCPN-OALUTQOASA-N. The full InChI is InChI=1S/C20H22O4/c21-20(17-9-5-2-6-10-17)24-14-18-11-12-23-19(18)15-22-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-,19-/m0/s1.
What are the key properties of [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate?
[(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate has a molecular weight of 326.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate is sourced from PubChem (CID 175638975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).