(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone

C16H12ClNO — CID 4160234

IUPAC(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-10-15(13-4-2-3-5-14(13)18-10)16(19)11-6-8-12(17)9-7-11/h2-9,18H,1H3
InChIKeyQEUVBMBDQDXWCX-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.36
Rot. Bonds2

About (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone

(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 4160234) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID4160234
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-10-15(13-4-2-3-5-14(13)18-10)16(19)11-6-8-12(17)9-7-11/h2-9,18H,1H3
InChIKeyQEUVBMBDQDXWCX-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 4160234) is (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is QEUVBMBDQDXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-15(13-4-2-3-5-14(13)18-10)16(19)11-6-8-12(17)9-7-11/h2-9,18H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)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 (4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 4160234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).