(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone

C18H16ClNO — CID 63878016

IUPAC(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C18H16ClNO/c1-10-6-11(2)17(12(3)7-10)18(21)15-9-20-16-5-4-13(19)8-14(15)16/h4-9,20H,1-3H3
InChIKeyICSXLRHPVYFLHI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.98
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone

(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 63878016) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID63878016
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C18H16ClNO/c1-10-6-11(2)17(12(3)7-10)18(21)15-9-20-16-5-4-13(19)8-14(15)16/h4-9,20H,1-3H3
InChIKeyICSXLRHPVYFLHI-UHFFFAOYSA-N
XLogP4.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
CID 162765558
CID 162765558
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone (CID 63878016) is (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2c[nH]c3ccc(Cl)cc23)c(C)c1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is ICSXLRHPVYFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-10-6-11(2)17(12(3)7-10)18(21)15-9-20-16-5-4-13(19)8-14(15)16/h4-9,20H,1-3H3.
What are the key properties of (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone?
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 297.79 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 63878016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).