2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol

C25H25NO6 — CID 10181414

IUPAC2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol
SMILESCOc1ccc2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)[nH]c2c1
InChIInChI=1S/C25H25NO6/c1-28-16-7-8-17-18(13-16)26-24(14-6-9-20(29-2)19(27)10-14)23(17)15-11-21(30-3)25(32-5)22(12-15)31-4/h6-13,26-27H,1-5H3
InChIKeyFHRAKPFENUFSKR-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.25
Rot. Bonds7

About 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol

2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol (PubChem CID 10181414) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol
PubChem CID10181414
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol
SMILESCOc1ccc2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)[nH]c2c1
InChIInChI=1S/C25H25NO6/c1-28-16-7-8-17-18(13-16)26-24(14-6-9-20(29-2)19(27)10-14)23(17)15-11-21(30-3)25(32-5)22(12-15)31-4/h6-13,26-27H,1-5H3
InChIKeyFHRAKPFENUFSKR-UHFFFAOYSA-N
XLogP5.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol (CID 10181414) is 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol is COc1ccc2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)[nH]c2c1.
What is the InChIKey of 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol?
The InChIKey is FHRAKPFENUFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-28-16-7-8-17-18(13-16)26-24(14-6-9-20(29-2)19(27)10-14)23(17)15-11-21(30-3)25(32-5)22(12-15)31-4/h6-13,26-27H,1-5H3.
What are the key properties of 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol?
2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol has a molecular weight of 435.48 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxyphenyl)-1H-indol-2-yl]phenol is sourced from PubChem (CID 10181414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).