1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone

C14H16ClNO3 — CID 82268904

IUPAC1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
SMILESCOCCn1c(Cl)c(C(C)=O)c2cc(OC)ccc21
InChIInChI=1S/C14H16ClNO3/c1-9(17)13-11-8-10(19-3)4-5-12(11)16(14(13)15)6-7-18-2/h4-5,8H,6-7H2,1-3H3
InChIKeyJMKMQCGZXBCHIE-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone

1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone (PubChem CID 82268904) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
PubChem CID82268904
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
SMILESCOCCn1c(Cl)c(C(C)=O)c2cc(OC)ccc21
InChIInChI=1S/C14H16ClNO3/c1-9(17)13-11-8-10(19-3)4-5-12(11)16(14(13)15)6-7-18-2/h4-5,8H,6-7H2,1-3H3
InChIKeyJMKMQCGZXBCHIE-UHFFFAOYSA-N
XLogP3.15
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]prop-2-enoic acid
CID 82268905
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82268944
(E)-3-(2-chloro-5-methoxy-1-propylindol-3-yl)-2-methylprop-2-enoic acid
CID 82268884
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820
3,5-dichloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3554328
4-chloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4146348
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
2-chloro-5-fluoro-1-(2-methoxyethyl)indole-3-carbaldehyde
CID 82268802

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone (CID 82268904) is 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone is COCCn1c(Cl)c(C(C)=O)c2cc(OC)ccc21.
What is the InChIKey of 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone?
The InChIKey is JMKMQCGZXBCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9(17)13-11-8-10(19-3)4-5-12(11)16(14(13)15)6-7-18-2/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone?
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone has a molecular weight of 281.74 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone is sourced from PubChem (CID 82268904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).