6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde

C13H14ClNO2 — CID 59494814

IUPAC6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
SMILESCOCCCn1cc(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO2/c1-17-6-2-5-15-8-10(9-16)12-4-3-11(14)7-13(12)15/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFWXKQRYXLRFHRD-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.14
Rot. Bonds5

About 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde

6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde (PubChem CID 59494814) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
PubChem CID59494814
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
SMILESCOCCCn1cc(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO2/c1-17-6-2-5-15-8-10(9-16)12-4-3-11(14)7-13(12)15/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFWXKQRYXLRFHRD-UHFFFAOYSA-N
XLogP3.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde?
The IUPAC name of 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde (CID 59494814) is 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde is COCCCn1cc(C=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde?
The InChIKey is FWXKQRYXLRFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-17-6-2-5-15-8-10(9-16)12-4-3-11(14)7-13(12)15/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde?
6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde has a molecular weight of 251.71 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde is sourced from PubChem (CID 59494814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).