(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone

C18H16ClNO — CID 116651047

IUPAC(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H16ClNO/c1-3-12-6-4-5-7-14(12)18(21)16-11-20(2)17-10-13(19)8-9-15(16)17/h4-11H,3H2,1-2H3
InChIKeyPEQOCMXFIYINDS-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.63
Rot. Bonds3

About (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone

(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone (PubChem CID 116651047) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
PubChem CID116651047
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H16ClNO/c1-3-12-6-4-5-7-14(12)18(21)16-11-20(2)17-10-13(19)8-9-15(16)17/h4-11H,3H2,1-2H3
InChIKeyPEQOCMXFIYINDS-UHFFFAOYSA-N
XLogP4.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone (CID 116651047) is (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)c1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone?
The InChIKey is PEQOCMXFIYINDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-3-12-6-4-5-7-14(12)18(21)16-11-20(2)17-10-13(19)8-9-15(16)17/h4-11H,3H2,1-2H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone?
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone has a molecular weight of 297.79 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone is sourced from PubChem (CID 116651047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).