2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde

C12H12ClNO2 — CID 82268916

IUPAC2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
SMILESCCOc1ccc2c(c1)c(C=O)c(Cl)n2C
InChIInChI=1S/C12H12ClNO2/c1-3-16-8-4-5-11-9(6-8)10(7-15)12(13)14(11)2/h4-7H,3H2,1-2H3
InChIKeyHMTXKWNHASEJES-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde

2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde (PubChem CID 82268916) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
PubChem CID82268916
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
SMILESCCOc1ccc2c(c1)c(C=O)c(Cl)n2C
InChIInChI=1S/C12H12ClNO2/c1-3-16-8-4-5-11-9(6-8)10(7-15)12(13)14(11)2/h4-7H,3H2,1-2H3
InChIKeyHMTXKWNHASEJES-UHFFFAOYSA-N
XLogP3.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.04
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

5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
(E)-3-(2-chloro-5-ethoxy-1-ethylindol-3-yl)prop-2-enoic acid
CID 82268930
(E)-3-(5-ethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82500275
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
9-ethoxy-5-methylcyclohepta[b]indol-6-one
CID 139810045
2-(5-ethoxy-1,2-dimethylindol-3-yl)acetonitrile
CID 82494814
5-chloro-1-(4-ethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82303923
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754
2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde
CID 123253047
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82268944
methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate
CID 4777687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde (CID 82268916) is 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde is CCOc1ccc2c(c1)c(C=O)c(Cl)n2C.
What is the InChIKey of 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde?
The InChIKey is HMTXKWNHASEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-3-16-8-4-5-11-9(6-8)10(7-15)12(13)14(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde?
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde has a molecular weight of 237.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 82268916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).