(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol

C20H24O4 — CID 57302482

IUPAC(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
SMILESOC(Cc1ccccc1)[C@H]1OC[C@H](O)[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H24O4/c21-18(11-15-7-3-1-4-8-15)20-17(19(22)14-24-20)13-23-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19-,20-/m0/s1
InChIKeyUKMDRMUQWRIGGE-GFDAQUBOSA-N
MW328.41 g/mol
LogP2.18
Rot. Bonds7

About (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol

(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 57302482) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID57302482
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
SMILESOC(Cc1ccccc1)[C@H]1OC[C@H](O)[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H24O4/c21-18(11-15-7-3-1-4-8-15)20-17(19(22)14-24-20)13-23-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19-,20-/m0/s1
InChIKeyUKMDRMUQWRIGGE-GFDAQUBOSA-N
XLogP2.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
1-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 10241725
(2R,4S,5S,6R,7S,10R)-6-(phenylmethoxymethyl)-9-oxatetracyclo[5.3.0.01,5.02,4]decan-10-ol
CID 101386923
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2S,4R)-4-iodo-2-(phenylmethoxymethyl)-1,3-dioxolane
CID 11034542

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol (CID 57302482) is (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol is OC(Cc1ccccc1)[C@H]1OC[C@H](O)[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is UKMDRMUQWRIGGE-GFDAQUBOSA-N. The full InChI is InChI=1S/C20H24O4/c21-18(11-15-7-3-1-4-8-15)20-17(19(22)14-24-20)13-23-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19-,20-/m0/s1.
What are the key properties of (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol?
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 328.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 57302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).