(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO6 — CID 24906249

IUPAC(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2c(C)cc3c(O)c(OC)ccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO6/c1-11-8-13-14(6-7-15(24-2)18(13)22)21(11)20(23)12-9-16(25-3)19(27-5)17(10-12)26-4/h6-10,22H,1-5H3
InChIKeySXABECIIPRALMC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.38
Rot. Bonds5

About (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 24906249) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID24906249
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2c(C)cc3c(O)c(OC)ccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO6/c1-11-8-13-14(6-7-15(24-2)18(13)22)21(11)20(23)12-9-16(25-3)19(27-5)17(10-12)26-4/h6-10,22H,1-5H3
InChIKeySXABECIIPRALMC-UHFFFAOYSA-N
XLogP3.38
TPSA79.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 24906249) is (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2c(C)cc3c(O)c(OC)ccc32)cc(OC)c1OC.
What is the InChIKey of (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SXABECIIPRALMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-11-8-13-14(6-7-15(24-2)18(13)22)21(11)20(23)12-9-16(25-3)19(27-5)17(10-12)26-4/h6-10,22H,1-5H3.
What are the key properties of (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 371.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 24906249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).