1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde

C18H17NO3 — CID 589080

IUPAC1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde
SMILESCOc1ccc(OCCn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-6-8-16(9-7-15)22-11-10-19-12-14(13-20)17-4-2-3-5-18(17)19/h2-9,12-13H,10-11H2,1H3
InChIKeySFRCPMXTOWXILH-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde

1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde (PubChem CID 589080) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde
PubChem CID589080
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde
SMILESCOc1ccc(OCCn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H17NO3/c1-21-15-6-8-16(9-7-15)22-11-10-19-12-14(13-20)17-4-2-3-5-18(17)19/h2-9,12-13H,10-11H2,1H3
InChIKeySFRCPMXTOWXILH-UHFFFAOYSA-N
XLogP3.54
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde (CID 589080) is 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde is COc1ccc(OCCn2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde?
The InChIKey is SFRCPMXTOWXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-15-6-8-16(9-7-15)22-11-10-19-12-14(13-20)17-4-2-3-5-18(17)19/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde?
1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]indole-3-carbaldehyde is sourced from PubChem (CID 589080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).