1-(4-methoxyphenyl)indole-2-carbaldehyde

C16H13NO2 — CID 139887469

IUPAC1-(4-methoxyphenyl)indole-2-carbaldehyde
SMILESCOc1ccc(-n2c(C=O)cc3ccccc32)cc1
InChIInChI=1S/C16H13NO2/c1-19-15-8-6-13(7-9-15)17-14(11-18)10-12-4-2-3-5-16(12)17/h2-11H,1H3
InChIKeySIHVUNOEHBXBCX-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-methoxyphenyl)indole-2-carbaldehyde

1-(4-methoxyphenyl)indole-2-carbaldehyde (PubChem CID 139887469) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxyphenyl)indole-2-carbaldehyde
PubChem CID139887469
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(4-methoxyphenyl)indole-2-carbaldehyde
SMILESCOc1ccc(-n2c(C=O)cc3ccccc32)cc1
InChIInChI=1S/C16H13NO2/c1-19-15-8-6-13(7-9-15)17-14(11-18)10-12-4-2-3-5-16(12)17/h2-11H,1H3
InChIKeySIHVUNOEHBXBCX-UHFFFAOYSA-N
XLogP3.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
CID 140970646
CID 58651990
CID 58651990
1-(4-methoxyphenyl)-2-piperazin-1-ylindole
CID 67370732
1-(furan-2-yl)indole-2-carbaldehyde
CID 139887499
1-(methoxymethoxy)indole-2-carbaldehyde
CID 10856622
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
CID 123494095
2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 105454164
3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole
CID 175794186

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)indole-2-carbaldehyde?
The IUPAC name of 1-(4-methoxyphenyl)indole-2-carbaldehyde (CID 139887469) is 1-(4-methoxyphenyl)indole-2-carbaldehyde.
What is the SMILES notation for 1-(4-methoxyphenyl)indole-2-carbaldehyde?
The canonical SMILES for 1-(4-methoxyphenyl)indole-2-carbaldehyde is COc1ccc(-n2c(C=O)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)indole-2-carbaldehyde?
The InChIKey is SIHVUNOEHBXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15-8-6-13(7-9-15)17-14(11-18)10-12-4-2-3-5-16(12)17/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)indole-2-carbaldehyde?
1-(4-methoxyphenyl)indole-2-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)indole-2-carbaldehyde is sourced from PubChem (CID 139887469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).