(4-methylphenyl)-(1-propylindol-3-yl)methanone

C19H19NO — CID 170857121

IUPAC(4-methylphenyl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-3-12-20-13-17(16-6-4-5-7-18(16)20)19(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3
InChIKeyDZERIMZODROYMA-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.59
Rot. Bonds4

About (4-methylphenyl)-(1-propylindol-3-yl)methanone

(4-methylphenyl)-(1-propylindol-3-yl)methanone (PubChem CID 170857121) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-methylphenyl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-propylindol-3-yl)methanone
PubChem CID170857121
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(4-methylphenyl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-3-12-20-13-17(16-6-4-5-7-18(16)20)19(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3
InChIKeyDZERIMZODROYMA-UHFFFAOYSA-N
XLogP4.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
(2-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 11152088
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-propylindol-3-yl)methanone (CID 170857121) is (4-methylphenyl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of (4-methylphenyl)-(1-propylindol-3-yl)methanone?
The InChIKey is DZERIMZODROYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-12-20-13-17(16-6-4-5-7-18(16)20)19(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3.
What are the key properties of (4-methylphenyl)-(1-propylindol-3-yl)methanone?
(4-methylphenyl)-(1-propylindol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 170857121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).