2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane

C61H64O10 — CID 129181825

IUPAC2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOc1cc2c(cc1OC)C(c1ccc(OCc3ccccc3)c(OC)c1)C(COC1OCC(OCc3ccccc3)C(OCc3ccccc3)C1OCc1ccccc1)C(COCc1ccccc1)C2
InChIInChI=1S/C61H64O10/c1-62-54-32-48(29-30-53(54)66-36-44-21-11-5-12-22-44)58-51-34-56(64-3)55(63-2)33-49(51)31-50(40-65-35-43-19-9-4-10-20-43)52(58)41-70-61-60(69-39-47-27-17-8-18-28-47)59(68-38-46-25-15-7-16-26-46)57(42-71-61)67-37-45-23-13-6-14-24-45/h4-30,32-34,50,52,57-61H,31,35-42H2,1-3H3
InChIKeyJVXQKOWPFXHUJI-UHFFFAOYSA-N
MW957.17 g/mol
LogP11.56
Rot. Bonds23

About 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane

2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 129181825) has the molecular formula C61H64O10 and a molecular weight of 957.17 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane
PubChem CID129181825
Molecular FormulaC61H64O10
Molecular Weight957.17 g/mol
Exact Mass956.45
IUPAC Name2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane
SMILESCOc1cc2c(cc1OC)C(c1ccc(OCc3ccccc3)c(OC)c1)C(COC1OCC(OCc3ccccc3)C(OCc3ccccc3)C1OCc1ccccc1)C(COCc1ccccc1)C2
InChIInChI=1S/C61H64O10/c1-62-54-32-48(29-30-53(54)66-36-44-21-11-5-12-22-44)58-51-34-56(64-3)55(63-2)33-49(51)31-50(40-65-35-43-19-9-4-10-20-43)52(58)41-70-61-60(69-39-47-27-17-8-18-28-47)59(68-38-46-25-15-7-16-26-46)57(42-71-61)67-37-45-23-13-6-14-24-45/h4-30,32-34,50,52,57-61H,31,35-42H2,1-3H3
InChIKeyJVXQKOWPFXHUJI-UHFFFAOYSA-N
XLogP11.56
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.17
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane with MolForge

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Related Compounds

(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 11091015
(1S,2R,3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 162910470
(2R,3R,4S,5R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
CID 14521043
(2R,3R,4S,5R)-2-[[(1R,2S,3S)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
CID 129181999
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3S,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
CID 162896954
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
CID 129175902
(2R,3R,4S,5R)-2-[[(2S,3S)-1-(4-fluoro-3-methoxyphenyl)-3-(hydroxymethyl)-7-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
CID 129175851
(5R,6S,7S)-5-(3,4-dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 101241675
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(2S,5R)-3,4,5-tris(phenylmethoxy)-2-prop-2-ynoxyoxane
CID 135033062

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane (CID 129181825) is 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane is COc1cc2c(cc1OC)C(c1ccc(OCc3ccccc3)c(OC)c1)C(COC1OCC(OCc3ccccc3)C(OCc3ccccc3)C1OCc1ccccc1)C(COCc1ccccc1)C2.
What is the InChIKey of 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is JVXQKOWPFXHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H64O10/c1-62-54-32-48(29-30-53(54)66-36-44-21-11-5-12-22-44)58-51-34-56(64-3)55(63-2)33-49(51)31-50(40-65-35-43-19-9-4-10-20-43)52(58)41-70-61-60(69-39-47-27-17-8-18-28-47)59(68-38-46-25-15-7-16-26-46)57(42-71-61)67-37-45-23-13-6-14-24-45/h4-30,32-34,50,52,57-61H,31,35-42H2,1-3H3.
What are the key properties of 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane?
2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 957.17 g/mol, XLogP of 11.56, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dimethoxy-1-(3-methoxy-4-phenylmethoxyphenyl)-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 129181825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).