[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol

C20H24O5 — CID 11221635

IUPAC[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
SMILESCOc1ccc(C2OC[C@H](COCc3ccccc3)[C@@H](CO)O2)cc1
InChIInChI=1S/C20H24O5/c1-22-18-9-7-16(8-10-18)20-24-14-17(19(11-21)25-20)13-23-12-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20?/m0/s1
InChIKeyFYBYWUWHEHCLTO-XRRBNZLQSA-N
MW344.41 g/mol
LogP2.93
Rot. Bonds7

About [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol

[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol (PubChem CID 11221635) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
PubChem CID11221635
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
SMILESCOc1ccc(C2OC[C@H](COCc3ccccc3)[C@@H](CO)O2)cc1
InChIInChI=1S/C20H24O5/c1-22-18-9-7-16(8-10-18)20-24-14-17(19(11-21)25-20)13-23-12-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20?/m0/s1
InChIKeyFYBYWUWHEHCLTO-XRRBNZLQSA-N
XLogP2.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol 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

(4R,5R)-2-(4-methoxyphenyl)-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxan-5-ol
CID 73054112
(4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxy-4-[2-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethyl]-1,3-dioxane
CID 73054113
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344
(2R,4R,5R)-2-phenyl-5-(phenylmethoxymethyl)-4-prop-1-en-2-yl-1,3-dioxane
CID 11023789
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
CID 71146249
[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
CID 152518072
(4S)-4-(naphthalen-2-ylmethoxymethyl)-2-phenyl-1,3-dioxan-5-ol
CID 71170081
(2S,4aR,6S,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-[(2R,3R,4S,5R,6S)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11104953
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
(2R,4aR,6R,7R,8R,8aR)-2-(4-methoxyphenyl)-6-methyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97302296

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol (CID 11221635) is [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol is COc1ccc(C2OC[C@H](COCc3ccccc3)[C@@H](CO)O2)cc1.
What is the InChIKey of [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol?
The InChIKey is FYBYWUWHEHCLTO-XRRBNZLQSA-N. The full InChI is InChI=1S/C20H24O5/c1-22-18-9-7-16(8-10-18)20-24-14-17(19(11-21)25-20)13-23-12-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/t17-,19+,20?/m0/s1.
What are the key properties of [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol?
[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol has a molecular weight of 344.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 11221635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).