2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde

C21H15NO4 — CID 141107005

IUPAC2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
SMILESCOc1ccc(C(=O)n2cc(-c3occc3C=O)c3ccccc32)cc1
InChIInChI=1S/C21H15NO4/c1-25-16-8-6-14(7-9-16)21(24)22-12-18(17-4-2-3-5-19(17)22)20-15(13-23)10-11-26-20/h2-13H,1H3
InChIKeyDDPZJJNMULNCLC-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.41
Rot. Bonds4

About 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde

2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde (PubChem CID 141107005) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde.

Molecular Properties

Compound Name2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
PubChem CID141107005
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
SMILESCOc1ccc(C(=O)n2cc(-c3occc3C=O)c3ccccc32)cc1
InChIInChI=1S/C21H15NO4/c1-25-16-8-6-14(7-9-16)21(24)22-12-18(17-4-2-3-5-19(17)22)20-15(13-23)10-11-26-20/h2-13H,1H3
InChIKeyDDPZJJNMULNCLC-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667
formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 143113823
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-(3,4-dichlorobenzoyl)indole-3-carbaldehyde
CID 91690489
2-(4-methoxybenzoyl)-1-methylsulfonylindole-3-carbaldehyde
CID 10689676
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[1-benzoyl-5-[(4-methoxyanilino)methyl]indol-3-yl]-2-oxoacetaldehyde
CID 174846626
1-benzoylindole-4-carbaldehyde
CID 18973532

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde?
The IUPAC name of 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde (CID 141107005) is 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde.
What is the SMILES notation for 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde?
The canonical SMILES for 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde is COc1ccc(C(=O)n2cc(-c3occc3C=O)c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde?
The InChIKey is DDPZJJNMULNCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-16-8-6-14(7-9-16)21(24)22-12-18(17-4-2-3-5-19(17)22)20-15(13-23)10-11-26-20/h2-13H,1H3.
What are the key properties of 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde?
2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde has a molecular weight of 345.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde is sourced from PubChem (CID 141107005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).