4-chloro-5-ethoxy-1-methylindole

C11H12ClNO — CID 126732659

IUPAC4-chloro-5-ethoxy-1-methylindole
SMILESCCOc1ccc2c(ccn2C)c1Cl
InChIInChI=1S/C11H12ClNO/c1-3-14-10-5-4-9-8(11(10)12)6-7-13(9)2/h4-7H,3H2,1-2H3
InChIKeyWYRMELKFAHZFAM-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.23
Rot. Bonds2

About 4-chloro-5-ethoxy-1-methylindole

4-chloro-5-ethoxy-1-methylindole (PubChem CID 126732659) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-5-ethoxy-1-methylindole.

Molecular Properties

Compound Name4-chloro-5-ethoxy-1-methylindole
PubChem CID126732659
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-chloro-5-ethoxy-1-methylindole
SMILESCCOc1ccc2c(ccn2C)c1Cl
InChIInChI=1S/C11H12ClNO/c1-3-14-10-5-4-9-8(11(10)12)6-7-13(9)2/h4-7H,3H2,1-2H3
InChIKeyWYRMELKFAHZFAM-UHFFFAOYSA-N
XLogP3.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1-methylindol-5-yl)propan-1-ol
CID 117321121
1,3-dichloro-4-ethoxy-2-iodobenzene
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4-fluoro-1-methyl-5-phenylmethoxyindole
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5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
4-chloro-1-methylindole;ethane
CID 142062846
O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453
4-chloro-5-fluoro-1,6-dimethylindole
CID 126583354
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
4-butoxy-1-methylindole-5-carbaldehyde
CID 89426925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethoxy-1-methylindole?
The IUPAC name of 4-chloro-5-ethoxy-1-methylindole (CID 126732659) is 4-chloro-5-ethoxy-1-methylindole.
What is the SMILES notation for 4-chloro-5-ethoxy-1-methylindole?
The canonical SMILES for 4-chloro-5-ethoxy-1-methylindole is CCOc1ccc2c(ccn2C)c1Cl.
What is the InChIKey of 4-chloro-5-ethoxy-1-methylindole?
The InChIKey is WYRMELKFAHZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-3-14-10-5-4-9-8(11(10)12)6-7-13(9)2/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethoxy-1-methylindole?
4-chloro-5-ethoxy-1-methylindole has a molecular weight of 209.68 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethoxy-1-methylindole is sourced from PubChem (CID 126732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).