6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol

C30H29NO7 — CID 90975128

IUPAC6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCOc1ccc(C(OC2C3OC(c4c3c(O)n(C)c4O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29NO7/c1-31-28(33)22-23(29(31)34)26-27(24(32)25(22)37-26)38-30(17-7-5-4-6-8-17,18-9-13-20(35-2)14-10-18)19-11-15-21(36-3)16-12-19/h4-16,24-27,32-34H,1-3H3
InChIKeyMSKPGDAXZVXGLS-UHFFFAOYSA-N
MW515.56 g/mol
LogP4.32
Rot. Bonds7

About 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol

6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol (PubChem CID 90975128) has the molecular formula C30H29NO7 and a molecular weight of 515.56 g/mol. Its IUPAC name is 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol.

Molecular Properties

Compound Name6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol
PubChem CID90975128
Molecular FormulaC30H29NO7
Molecular Weight515.56 g/mol
Exact Mass515.19
IUPAC Name6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCOc1ccc(C(OC2C3OC(c4c3c(O)n(C)c4O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29NO7/c1-31-28(33)22-23(29(31)34)26-27(24(32)25(22)37-26)38-30(17-7-5-4-6-8-17,18-9-13-20(35-2)14-10-18)19-11-15-21(36-3)16-12-19/h4-16,24-27,32-34H,1-3H3
InChIKeyMSKPGDAXZVXGLS-UHFFFAOYSA-N
XLogP4.32
TPSA102.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol?
The IUPAC name of 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol (CID 90975128) is 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol.
What is the SMILES notation for 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol?
The canonical SMILES for 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol is COc1ccc(C(OC2C3OC(c4c3c(O)n(C)c4O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol?
The InChIKey is MSKPGDAXZVXGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO7/c1-31-28(33)22-23(29(31)34)26-27(24(32)25(22)37-26)38-30(17-7-5-4-6-8-17,18-9-13-20(35-2)14-10-18)19-11-15-21(36-3)16-12-19/h4-16,24-27,32-34H,1-3H3.
What are the key properties of 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol?
6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol has a molecular weight of 515.56 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol is sourced from PubChem (CID 90975128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).