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

C15H18ClNO2 — CID 98035172

IUPAC4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
SMILESCOc1ccc(Cl)c2c1c(CCC(C)=O)c(C)n2C
InChIInChI=1S/C15H18ClNO2/c1-9(18)5-6-11-10(2)17(3)15-12(16)7-8-13(19-4)14(11)15/h7-8H,5-6H2,1-4H3
InChIKeyIEYITYXSPKNYFP-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.67
Rot. Bonds4

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

4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one (PubChem CID 98035172) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
PubChem CID98035172
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
SMILESCOc1ccc(Cl)c2c1c(CCC(C)=O)c(C)n2C
InChIInChI=1S/C15H18ClNO2/c1-9(18)5-6-11-10(2)17(3)15-12(16)7-8-13(19-4)14(11)15/h7-8H,5-6H2,1-4H3
InChIKeyIEYITYXSPKNYFP-UHFFFAOYSA-N
XLogP3.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82240505
4-(7-ethyl-1,2-dimethylindol-3-yl)butan-2-one
CID 82497423
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
4-(2-acetamido-6-chloro-3-methoxyphenyl)butanoic acid
CID 117460217
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
CID 54772922
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
3-(1,2,4,5,6,7-hexamethylindol-3-yl)propanoic acid
CID 21339087
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one?
The IUPAC name of 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one (CID 98035172) is 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one.
What is the SMILES notation for 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one?
The canonical SMILES for 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one is COc1ccc(Cl)c2c1c(CCC(C)=O)c(C)n2C.
What is the InChIKey of 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one?
The InChIKey is IEYITYXSPKNYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9(18)5-6-11-10(2)17(3)15-12(16)7-8-13(19-4)14(11)15/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one?
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one has a molecular weight of 279.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one is sourced from PubChem (CID 98035172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).