6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde

C18H17NO3 — CID 141464853

IUPAC6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
SMILESCOc1ccc(Cn2cc(C=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)10-19-11-14(12-20)17-8-7-16(22-2)9-18(17)19/h3-9,11-12H,10H2,1-2H3
InChIKeyUWHRYFPEJHXBMI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.52
Rot. Bonds5

About 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde

6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde (PubChem CID 141464853) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
PubChem CID141464853
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
SMILESCOc1ccc(Cn2cc(C=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)10-19-11-14(12-20)17-8-7-16(22-2)9-18(17)19/h3-9,11-12H,10H2,1-2H3
InChIKeyUWHRYFPEJHXBMI-UHFFFAOYSA-N
XLogP3.52
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carbaldehyde
CID 91174729
2,8-bis[(4-methoxyphenyl)methyl]-1,9-dioxopyrido[4,3-b][1,6]naphthyridine-4,6-dicarbaldehyde
CID 101008201
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
3-formyl-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 50742419
4-[(5-ethoxy-3-formylindol-1-yl)methyl]benzonitrile
CID 110832178
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
CID 10831090
1-hydroxy-5-methoxyindole-3-carbaldehyde
CID 11206300

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde (CID 141464853) is 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde is COc1ccc(Cn2cc(C=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde?
The InChIKey is UWHRYFPEJHXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-15-5-3-13(4-6-15)10-19-11-14(12-20)17-8-7-16(22-2)9-18(17)19/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde?
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 141464853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).