(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone

C16H12ClNO — CID 59430906

IUPAC(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)16(19)14-9-18-15-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyWFDBYCWUQFTEGY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.36
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone

(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone (PubChem CID 59430906) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
PubChem CID59430906
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)16(19)14-9-18-15-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyWFDBYCWUQFTEGY-UHFFFAOYSA-N
XLogP4.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
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
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 79685663

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone (CID 59430906) is (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone?
The InChIKey is WFDBYCWUQFTEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)16(19)14-9-18-15-7-6-12(17)8-13(14)15/h2-9,18H,1H3.
What are the key properties of (5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone?
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone has a molecular weight of 269.73 g/mol, XLogP of 4.36, 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)-(4-methylphenyl)methanone is sourced from PubChem (CID 59430906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).