1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone

C13H14ClNO2 — CID 82499395

IUPAC1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc(Cl)c2c1c(C(C)=O)c(C)n2C
InChIInChI=1S/C13H14ClNO2/c1-7-11(8(2)16)12-10(17-4)6-5-9(14)13(12)15(7)3/h5-6H,1-4H3
InChIKeyYIFMJOFXSDVRCM-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.35
Rot. Bonds2

About 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone

1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 82499395) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID82499395
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc(Cl)c2c1c(C(C)=O)c(C)n2C
InChIInChI=1S/C13H14ClNO2/c1-7-11(8(2)16)12-10(17-4)6-5-9(14)13(12)15(7)3/h5-6H,1-4H3
InChIKeyYIFMJOFXSDVRCM-UHFFFAOYSA-N
XLogP3.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone
CID 84660360
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 82499395) is 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc(Cl)c2c1c(C(C)=O)c(C)n2C.
What is the InChIKey of 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is YIFMJOFXSDVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-7-11(8(2)16)12-10(17-4)6-5-9(14)13(12)15(7)3/h5-6H,1-4H3.
What are the key properties of 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone?
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 251.71 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 82499395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).