1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde

C20H19NO5 — CID 71606868

IUPAC1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
SMILESCOc1cc(C(=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-21-10-14(11-22)15-7-12(5-6-16(15)21)19(23)13-8-17(24-2)20(26-4)18(9-13)25-3/h5-11H,1-4H3
InChIKeyWYVGABPGBUPWKI-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.25
Rot. Bonds6

About 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde

1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde (PubChem CID 71606868) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
PubChem CID71606868
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
SMILESCOc1cc(C(=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-21-10-14(11-22)15-7-12(5-6-16(15)21)19(23)13-8-17(24-2)20(26-4)18(9-13)25-3/h5-11H,1-4H3
InChIKeyWYVGABPGBUPWKI-UHFFFAOYSA-N
XLogP3.25
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylindole-3-carbaldehyde
CID 1419073
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(E)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155806632
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644
1-methyl-5-trimethylsilylindole-3-carbaldehyde
CID 165354862
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide
CID 137432029
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde?
The IUPAC name of 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde (CID 71606868) is 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde?
The canonical SMILES for 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde is COc1cc(C(=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde?
The InChIKey is WYVGABPGBUPWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-21-10-14(11-22)15-7-12(5-6-16(15)21)19(23)13-8-17(24-2)20(26-4)18(9-13)25-3/h5-11H,1-4H3.
What are the key properties of 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde?
1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde has a molecular weight of 353.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde is sourced from PubChem (CID 71606868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).