(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H12ClNO — CID 63555318

IUPAC(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H12ClNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3
InChIKeyBPPRNLCJBHGAQJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.36
Rot. Bonds2

About (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone

(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 63555318) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID63555318
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H12ClNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3
InChIKeyBPPRNLCJBHGAQJ-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

(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 63555318) is (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is BPPRNLCJBHGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(4-chlorophenyl)-(5-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)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 63555318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).