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

C21H23NO5 — CID 177125861

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 CID177125861
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(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
XLogP4.21
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 121265469
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426

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).