(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol

C30H36O5 — CID 11167459

IUPAC(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol
SMILESCOc1ccc([C@H](O)C[C@@H]2C[C@@H](OCc3ccccc3)[C@H](C)[C@H](COCc3ccccc3)O2)cc1
InChIInChI=1S/C30H36O5/c1-22-29(34-20-24-11-7-4-8-12-24)18-27(17-28(31)25-13-15-26(32-2)16-14-25)35-30(22)21-33-19-23-9-5-3-6-10-23/h3-16,22,27-31H,17-21H2,1-2H3/t22-,27+,28+,29+,30-/m0/s1
InChIKeyUAMKDNASIHCFMW-FUEBGHHCSA-N
MW476.61 g/mol
LogP5.71
Rot. Bonds11

About (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol

(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol (PubChem CID 11167459) has the molecular formula C30H36O5 and a molecular weight of 476.61 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol
PubChem CID11167459
Molecular FormulaC30H36O5
Molecular Weight476.61 g/mol
Exact Mass476.26
IUPAC Name(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol
SMILESCOc1ccc([C@H](O)C[C@@H]2C[C@@H](OCc3ccccc3)[C@H](C)[C@H](COCc3ccccc3)O2)cc1
InChIInChI=1S/C30H36O5/c1-22-29(34-20-24-11-7-4-8-12-24)18-27(17-28(31)25-13-15-26(32-2)16-14-25)35-30(22)21-33-19-23-9-5-3-6-10-23/h3-16,22,27-31H,17-21H2,1-2H3/t22-,27+,28+,29+,30-/m0/s1
InChIKeyUAMKDNASIHCFMW-FUEBGHHCSA-N
XLogP5.71
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
1-[(2S,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethane-1,2-diol
CID 25170284
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(1S,2S,3R,5R)-3-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 88524591
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal
CID 11191617
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(4R,5R,6R)-2-(4-methoxyphenoxy)-3-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 102169011
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
(2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2-methylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10864943

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol (CID 11167459) is (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol is COc1ccc([C@H](O)C[C@@H]2C[C@@H](OCc3ccccc3)[C@H](C)[C@H](COCc3ccccc3)O2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol?
The InChIKey is UAMKDNASIHCFMW-FUEBGHHCSA-N. The full InChI is InChI=1S/C30H36O5/c1-22-29(34-20-24-11-7-4-8-12-24)18-27(17-28(31)25-13-15-26(32-2)16-14-25)35-30(22)21-33-19-23-9-5-3-6-10-23/h3-16,22,27-31H,17-21H2,1-2H3/t22-,27+,28+,29+,30-/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol?
(1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol has a molecular weight of 476.61 g/mol, XLogP of 5.71, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-2-[(2R,4R,5S,6R)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]ethanol is sourced from PubChem (CID 11167459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).