(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol

C20H21NO6 — CID 177165380

IUPAC(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc2c(ccn2-c2ccc(O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2)c1
InChIInChI=1S/C20H21NO6/c1-25-15-6-7-16-12(10-15)8-9-21(16)13-2-4-14(5-3-13)27-20-19(24)18(23)17(22)11-26-20/h2-10,17-20,22-24H,11H2,1H3/t17-,18-,19+,20+/m0/s1
InChIKeyUUUJPLVPQOQJOJ-VNTMZGSJSA-N
MW371.39 g/mol
LogP1.46
Rot. Bonds4

About (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol

(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol (PubChem CID 177165380) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
PubChem CID177165380
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol
SMILESCOc1ccc2c(ccn2-c2ccc(O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2)c1
InChIInChI=1S/C20H21NO6/c1-25-15-6-7-16-12(10-15)8-9-21(16)13-2-4-14(5-3-13)27-20-19(24)18(23)17(22)11-26-20/h2-10,17-20,22-24H,11H2,1H3/t17-,18-,19+,20+/m0/s1
InChIKeyUUUJPLVPQOQJOJ-VNTMZGSJSA-N
XLogP1.46
TPSA93.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169
6-(5-methoxyindol-1-yl)-2,1-benzoxazole
CID 152663892
1,5,6-tris(4-methoxyphenyl)indole
CID 174980314
(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
CID 688371
4-fluoro-1-methylpiperidine;1-(4-methoxyphenyl)indole-5-carbaldehyde
CID 163260935
3-(5-methoxyindol-1-yl)benzonitrile
CID 13324712
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 758005
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
5-methoxy-1-methylindole
CID 819864
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
1-(4-methoxyphenyl)-5-[6-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-3-pyridinyl]indole
CID 68710990
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol (CID 177165380) is (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol is COc1ccc2c(ccn2-c2ccc(O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2)c1.
What is the InChIKey of (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol?
The InChIKey is UUUJPLVPQOQJOJ-VNTMZGSJSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-15-6-7-16-12(10-15)8-9-21(16)13-2-4-14(5-3-13)27-20-19(24)18(23)17(22)11-26-20/h2-10,17-20,22-24H,11H2,1H3/t17-,18-,19+,20+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol?
(2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol has a molecular weight of 371.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[4-(5-methoxyindol-1-yl)phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 177165380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).