7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole

C35H35NO4 — CID 71486004

IUPAC7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole
SMILESCc1cccc2c([C@@H]3OC[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c[nH]c12
InChIInChI=1S/C35H35NO4/c1-25-12-11-19-29-30(20-36-32(25)29)33-35(39-23-28-17-9-4-10-18-28)34(38-22-27-15-7-3-8-16-27)31(24-40-33)37-21-26-13-5-2-6-14-26/h2-20,31,33-36H,21-24H2,1H3/t31-,33+,34+,35+/m1/s1
InChIKeyWBZHACDOMLLMRO-PEBYJJCOSA-N
MW533.67 g/mol
LogP7.30
Rot. Bonds10

About 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole

7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole (PubChem CID 71486004) has the molecular formula C35H35NO4 and a molecular weight of 533.67 g/mol. Its IUPAC name is 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole.

Molecular Properties

Compound Name7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole
PubChem CID71486004
Molecular FormulaC35H35NO4
Molecular Weight533.67 g/mol
Exact Mass533.26
IUPAC Name7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole
SMILESCc1cccc2c([C@@H]3OC[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c[nH]c12
InChIInChI=1S/C35H35NO4/c1-25-12-11-19-29-30(20-36-32(25)29)33-35(39-23-28-17-9-4-10-18-28)34(38-22-27-15-7-3-8-16-27)31(24-40-33)37-21-26-13-5-2-6-14-26/h2-20,31,33-36H,21-24H2,1H3/t31-,33+,34+,35+/m1/s1
InChIKeyWBZHACDOMLLMRO-PEBYJJCOSA-N
XLogP7.30
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol
CID 71485587
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
1-[(4-methoxyphenyl)methyl]-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]indole
CID 71485419
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
CID 71524271
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(2-fluoro-3-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 23080574
7-methyl-3-(9H-xanthen-9-yl)-1H-indole
CID 24797230
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole?
The IUPAC name of 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole (CID 71486004) is 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole.
What is the SMILES notation for 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole?
The canonical SMILES for 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole is Cc1cccc2c([C@@H]3OC[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c[nH]c12.
What is the InChIKey of 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole?
The InChIKey is WBZHACDOMLLMRO-PEBYJJCOSA-N. The full InChI is InChI=1S/C35H35NO4/c1-25-12-11-19-29-30(20-36-32(25)29)33-35(39-23-28-17-9-4-10-18-28)34(38-22-27-15-7-3-8-16-27)31(24-40-33)37-21-26-13-5-2-6-14-26/h2-20,31,33-36H,21-24H2,1H3/t31-,33+,34+,35+/m1/s1.
What are the key properties of 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole?
7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole has a molecular weight of 533.67 g/mol, XLogP of 7.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]-1H-indole is sourced from PubChem (CID 71486004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).