(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

Name: (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₃NO₅ — CID 177125861

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC(C)C)c3)c[nH]c2c1

InChIInChI=1S/C21H23NO5/c1-12(2)27-19-9-13(8-18(25-4)21(19)26-5)20(23)16-11-22-17-10-14(24-3)6-7-15(16)17/h6-12,22H,1-5H3

InChIKeyAVPZWRBBTGMIPF-UHFFFAOYSA-N

MW369.42 g/mol

LogP4.21

Rot. Bonds7

About (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (PubChem CID 177125861) has the molecular formula C₂₁H₂₃NO₅ and a molecular weight of 369.42 g/mol. Its IUPAC name is (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name	(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
PubChem CID	177125861
Molecular Formula	C₂₁H₂₃NO₅
Molecular Weight	369.42 g/mol
Exact Mass	369.16
IUPAC Name	(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILES	COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC(C)C)c3)c[nH]c2c1
InChI	InChI=1S/C21H23NO5/c1-12(2)27-19-9-13(8-18(25-4)21(19)26-5)20(23)16-11-22-17-10-14(24-3)6-7-15(16)17/h6-12,22H,1-5H3
InChIKey	AVPZWRBBTGMIPF-UHFFFAOYSA-N
XLogP	4.21
TPSA	69.78 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?

The IUPAC name of (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (CID 177125861) is (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.

What is the SMILES notation for (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?

The canonical SMILES for (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC(C)C)c3)c[nH]c2c1.

What is the InChIKey of (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?

The InChIKey is AVPZWRBBTGMIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-12(2)27-19-9-13(8-18(25-4)21(19)26-5)20(23)16-11-22-17-10-14(24-3)6-7-15(16)17/h6-12,22H,1-5H3.

What are the key properties of (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?

(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 177125861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177125861 — identifiers, structure, computed properties (public domain)

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