1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone

C11H10ClNO2 — CID 131380189

IUPAC1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
SMILESCOc1ccc2[nH]c(C(C)=O)cc2c1Cl
InChIInChI=1S/C11H10ClNO2/c1-6(14)9-5-7-8(13-9)3-4-10(15-2)11(7)12/h3-5,13H,1-2H3
InChIKeyPTWDTIDNWXMLME-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone

1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone (PubChem CID 131380189) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
PubChem CID131380189
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
SMILESCOc1ccc2[nH]c(C(C)=O)cc2c1Cl
InChIInChI=1S/C11H10ClNO2/c1-6(14)9-5-7-8(13-9)3-4-10(15-2)11(7)12/h3-5,13H,1-2H3
InChIKeyPTWDTIDNWXMLME-UHFFFAOYSA-N
XLogP3.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
4-chloro-2-cyclobutyl-5-methoxy-1H-indole
CID 84699119
4-ethoxy-5-methoxy-1H-indole-2-carboxylate
CID 7141873
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
ethyl 4-[4-[3-[(4-chloro-5-methoxy-1H-indole-2-carbonyl)amino]oxolan-3-yl]phenyl]oxane-4-carboxylate
CID 177063808

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone (CID 131380189) is 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone is COc1ccc2[nH]c(C(C)=O)cc2c1Cl.
What is the InChIKey of 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone?
The InChIKey is PTWDTIDNWXMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6(14)9-5-7-8(13-9)3-4-10(15-2)11(7)12/h3-5,13H,1-2H3.
What are the key properties of 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone?
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone has a molecular weight of 223.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone is sourced from PubChem (CID 131380189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).