1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde

C18H17NO — CID 102910740

IUPAC1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
SMILESCCc1ccc(Cn2ccc3cc(C=O)ccc32)cc1
InChIInChI=1S/C18H17NO/c1-2-14-3-5-15(6-4-14)12-19-10-9-17-11-16(13-20)7-8-18(17)19/h3-11,13H,2,12H2,1H3
InChIKeyHAYXHYHXUMQSQQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.06
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde

1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde (PubChem CID 102910740) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
PubChem CID102910740
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
SMILESCCc1ccc(Cn2ccc3cc(C=O)ccc32)cc1
InChIInChI=1S/C18H17NO/c1-2-14-3-5-15(6-4-14)12-19-10-9-17-11-16(13-20)7-8-18(17)19/h3-11,13H,2,12H2,1H3
InChIKeyHAYXHYHXUMQSQQ-UHFFFAOYSA-N
XLogP4.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
N-ethyl-2-(5-formylindol-1-yl)acetamide
CID 102910515
1-benzyl-5-ethenylindole
CID 71373149
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde?
The IUPAC name of 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde (CID 102910740) is 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde is CCc1ccc(Cn2ccc3cc(C=O)ccc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde?
The InChIKey is HAYXHYHXUMQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-14-3-5-15(6-4-14)12-19-10-9-17-11-16(13-20)7-8-18(17)19/h3-11,13H,2,12H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde?
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde is sourced from PubChem (CID 102910740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).