2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde

C14H16ClNO2 — CID 82269167

IUPAC2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
SMILESCOCCn1c(Cl)c(C=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H16ClNO2/c1-9-6-10(2)13-11(8-17)14(15)16(4-5-18-3)12(13)7-9/h6-8H,4-5H2,1-3H3
InChIKeyVGUWALPIZRFMJN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde

2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde (PubChem CID 82269167) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
PubChem CID82269167
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
SMILESCOCCn1c(Cl)c(C=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H16ClNO2/c1-9-6-10(2)13-11(8-17)14(15)16(4-5-18-3)12(13)7-9/h6-8H,4-5H2,1-3H3
InChIKeyVGUWALPIZRFMJN-UHFFFAOYSA-N
XLogP3.37
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.37
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

(E)-3-[2-chloro-1-(2-methoxyethyl)-4,6-dimethylindol-3-yl]prop-2-enoic acid
CID 82269173
2,4,6-trichloro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82269607
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802
(E)-3-(2-chloro-4,6-dimethyl-1-propylindol-3-yl)prop-2-enoic acid
CID 82269151
1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
CID 91671831
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbaldehyde
CID 84625850
[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
CID 82269110
2-chloro-1-(2-methoxyethyl)-5,6-dimethylindole-3-carbonitrile
CID 82269111
4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 30030094
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849518
(E)-3-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]prop-2-enoic acid
CID 82268905
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde?
The IUPAC name of 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde (CID 82269167) is 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde?
The canonical SMILES for 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde is COCCn1c(Cl)c(C=O)c2c(C)cc(C)cc21.
What is the InChIKey of 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde?
The InChIKey is VGUWALPIZRFMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-6-10(2)13-11(8-17)14(15)16(4-5-18-3)12(13)7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde?
2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde has a molecular weight of 265.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde is sourced from PubChem (CID 82269167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).