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

C19H19NO5 — CID 122182222

IUPAC(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(ccn3C)c2)c(O)c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-8-7-11-9-12(5-6-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3
InChIKeyGESIDFQWZILMBW-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.14
Rot. Bonds5

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

(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone (PubChem CID 122182222) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone
PubChem CID122182222
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(ccn3C)c2)c(O)c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-8-7-11-9-12(5-6-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3
InChIKeyGESIDFQWZILMBW-UHFFFAOYSA-N
XLogP3.14
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone (CID 122182222) is (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone is COc1cc(C(=O)c2ccc3c(ccn3C)c2)c(O)c(OC)c1OC.
What is the InChIKey of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone?
The InChIKey is GESIDFQWZILMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-20-8-7-11-9-12(5-6-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3.
What are the key properties of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone?
(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 122182222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).