4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde

C18H15NO4 — CID 86172079

IUPAC4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
SMILESCOc1cc(OC)c2c(-c3ccccc3)c(C=O)[nH]c2c1C=O
InChIInChI=1S/C18H15NO4/c1-22-14-8-15(23-2)17-16(11-6-4-3-5-7-11)13(10-21)19-18(17)12(14)9-20/h3-10,19H,1-2H3
InChIKeyZIBXKBWNOZBEIT-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.48
Rot. Bonds5

About 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde

4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde (PubChem CID 86172079) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
PubChem CID86172079
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde
SMILESCOc1cc(OC)c2c(-c3ccccc3)c(C=O)[nH]c2c1C=O
InChIInChI=1S/C18H15NO4/c1-22-14-8-15(23-2)17-16(11-6-4-3-5-7-11)13(10-21)19-18(17)12(14)9-20/h3-10,19H,1-2H3
InChIKeyZIBXKBWNOZBEIT-UHFFFAOYSA-N
XLogP3.48
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-3-phenyl-7-(2,2,2-trichloroacetyl)-1H-indole-2-carbaldehyde
CID 45117942
N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
CID 132990983
5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
CID 10830916
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
2-chloro-5,7-dimethoxy-1H-indole-3,4-dicarbaldehyde
CID 3717056
5-methyl-4-methylsulfonyl-3-phenyl-1H-pyrrole-2-carbaldehyde
CID 59987008
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
CID 73351016
2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
3-methoxy-5-[(E)-2-phenylethenyl]-1H-pyrrole-2-carbaldehyde
CID 88571821
methanol;3-phenyl-1H-indole-2-carbaldehyde
CID 143036487

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde?
The IUPAC name of 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde (CID 86172079) is 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde.
What is the SMILES notation for 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde?
The canonical SMILES for 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde is COc1cc(OC)c2c(-c3ccccc3)c(C=O)[nH]c2c1C=O.
What is the InChIKey of 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde?
The InChIKey is ZIBXKBWNOZBEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-14-8-15(23-2)17-16(11-6-4-3-5-7-11)13(10-21)19-18(17)12(14)9-20/h3-10,19H,1-2H3.
What are the key properties of 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde?
4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde has a molecular weight of 309.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-phenyl-1H-indole-2,7-dicarbaldehyde is sourced from PubChem (CID 86172079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).